(2S)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S,3S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-phenylethanol;4-N-butyl-8-methylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(4,4,4-trifluorobutyl)pyrido[3,2-d]pyrimidine-2,4-diamine

C112H150F3N45O5 — CID 167550622

About (2S)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S,3S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-phenylethanol;4-N-butyl-8-methylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(4,4,4-trifluorobutyl)pyrido[3,2-d]pyrimidine-2,4-diamine

(2S)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S,3S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-phenylethanol;4-N-butyl-8-methylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(4,4,4-trifluorobutyl)pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 167550622) has the molecular formula C112H150F3N45O5 and a molecular weight of 2263.74 g/mol. Its IUPAC name is (2S)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S,3S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-phenylethanol;4-N-butyl-8-methylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(4,4,4-trifluorobutyl)pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: (2S)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S,3S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-phenylethanol;4-N-butyl-8-methylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(4,4,4-trifluorobutyl)pyrido[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 167550622
• Molecular Formula: C112H150F3N45O5
• Molecular Weight: 2263.74 g/mol
• Exact Mass: 2262.28
• IUPAC Name: (2S)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S,3S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-phenylethanol;4-N-butyl-8-methylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(4,4,4-trifluorobutyl)pyrido[3,2-d]pyrimidine-2,4-diamine
• SMILES: CCCC(C)Nc1nc(N)nc2cccnc12.CCCCCNc1nc(N)nc2cccnc12.CCCCNc1nc(N)nc2c(C)ccnc12.CCC[C@@H](CO)Nc1nc(N)nc2c(C)ccnc12.CCC[C@@H](CO)Nc1nc(N)nc2cccnc12.CCC[C@H](CO)Nc1nc(N)nc2cccnc12.CC[C@H](C)[C@@H](CO)Nc1nc(N)nc2cccnc12.Nc1nc(NCCCC(F)(F)F)c2ncccc2n1.Nc1nc(N[C@H](CO)c2ccccc2)c2ncccc2n1
• InChI: InChI=1S/C15H15N5O.2C13H19N5O.2C12H17N5O.3C12H17N5.C11H12F3N5/c16-15-19-11-7-4-8-17-13(11)14(20-15)18-12(9-21)10-5-2-1-3-6-10;1-3-8(2)10(7-19)16-12-11-9(5-4-6-15-11)17-13(14)18-12;1-3-4-9(7-19)16-12-11-10(17-13(14)18-12)8(2)5-6-15-11;2*1-2-4-8(7-18)15-11-10-9(5-3-6-14-10)16-12(13)17-11;1-3-5-8(2)15-11-10-9(6-4-7-14-10)16-12(13)17-11;1-3-4-6-15-11-10-9(16-12(13)17-11)8(2)5-7-14-10;1-2-3-4-7-15-11-10-9(6-5-8-14-10)16-12(13)17-11;12-11(13,14)4-2-6-17-9-8-7(3-1-5-16-8)18-10(15)19-9/h1-8,12,21H,9H2,(H3,16,18,19,20);4-6,8,10,19H,3,7H2,1-2H3,(H3,14,16,17,18);5-6,9,19H,3-4,7H2,1-2H3,(H3,14,16,17,18);2*3,5-6,8,18H,2,4,7H2,1H3,(H3,13,15,16,17);4,6-8H,3,5H2,1-2H3,(H3,13,15,16,17);5,7H,3-4,6H2,1-2H3,(H3,13,15,16,17);5-6,8H,2-4,7H2,1H3,(H3,13,15,16,17);1,3,5H,2,4,6H2,(H3,15,17,18,19)/t12-;8-,10+;9-;2*8-;;;;/m10010..../s1
• InChIKey: CIWMUWQZTAJAIN-SJFGNQGBSA-N
• XLogP: 15.93
• TPSA: 791.63 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 50
• Rotatable Bonds: 41
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2263.74
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S,3S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-phenylethanol;4-N-butyl-8-methylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(4,4,4-trifluorobutyl)pyrido[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of (2S)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S,3S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-phenylethanol;4-N-butyl-8-methylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(4,4,4-trifluorobutyl)pyrido[3,2-d]pyrimidine-2,4-diamine (CID 167550622) is (2S)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S,3S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-phenylethanol;4-N-butyl-8-methylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(4,4,4-trifluorobutyl)pyrido[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for (2S)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S,3S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-phenylethanol;4-N-butyl-8-methylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(4,4,4-trifluorobutyl)pyrido[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for (2S)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S,3S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-phenylethanol;4-N-butyl-8-methylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(4,4,4-trifluorobutyl)pyrido[3,2-d]pyrimidine-2,4-diamine is CCCC(C)Nc1nc(N)nc2cccnc12.CCCCCNc1nc(N)nc2cccnc12.CCCCNc1nc(N)nc2c(C)ccnc12.CCC[C@@H](CO)Nc1nc(N)nc2c(C)ccnc12.CCC[C@@H](CO)Nc1nc(N)nc2cccnc12.CCC[C@H](CO)Nc1nc(N)nc2cccnc12.CC[C@H](C)[C@@H](CO)Nc1nc(N)nc2cccnc12.Nc1nc(NCCCC(F)(F)F)c2ncccc2n1.Nc1nc(N[C@H](CO)c2ccccc2)c2ncccc2n1.

What is the InChIKey of (2S)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S,3S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-phenylethanol;4-N-butyl-8-methylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(4,4,4-trifluorobutyl)pyrido[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is CIWMUWQZTAJAIN-SJFGNQGBSA-N. The full InChI is InChI=1S/C15H15N5O.2C13H19N5O.2C12H17N5O.3C12H17N5.C11H12F3N5/c16-15-19-11-7-4-8-17-13(11)14(20-15)18-12(9-21)10-5-2-1-3-6-10;1-3-8(2)10(7-19)16-12-11-9(5-4-6-15-11)17-13(14)18-12;1-3-4-9(7-19)16-12-11-10(17-13(14)18-12)8(2)5-6-15-11;2*1-2-4-8(7-18)15-11-10-9(5-3-6-14-10)16-12(13)17-11;1-3-5-8(2)15-11-10-9(6-4-7-14-10)16-12(13)17-11;1-3-4-6-15-11-10-9(16-12(13)17-11)8(2)5-7-14-10;1-2-3-4-7-15-11-10-9(6-5-8-14-10)16-12(13)17-11;12-11(13,14)4-2-6-17-9-8-7(3-1-5-16-8)18-10(15)19-9/h1-8,12,21H,9H2,(H3,16,18,19,20);4-6,8,10,19H,3,7H2,1-2H3,(H3,14,16,17,18);5-6,9,19H,3-4,7H2,1-2H3,(H3,14,16,17,18);2*3,5-6,8,18H,2,4,7H2,1H3,(H3,13,15,16,17);4,6-8H,3,5H2,1-2H3,(H3,13,15,16,17);5,7H,3-4,6H2,1-2H3,(H3,13,15,16,17);5-6,8H,2-4,7H2,1H3,(H3,13,15,16,17);1,3,5H,2,4,6H2,(H3,15,17,18,19)/t12-;8-,10+;9-;2*8-;;;;/m10010..../s1.

What are the key properties of (2S)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S,3S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-phenylethanol;4-N-butyl-8-methylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(4,4,4-trifluorobutyl)pyrido[3,2-d]pyrimidine-2,4-diamine?

(2S)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S,3S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-phenylethanol;4-N-butyl-8-methylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(4,4,4-trifluorobutyl)pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 2263.74 g/mol, XLogP of 15.93, 41 rotatable bonds, 23 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S,3S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-phenylethanol;4-N-butyl-8-methylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(4,4,4-trifluorobutyl)pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 167550622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).