(2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate

C92H121BrClN41O8S — CID 161088487

About (2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate

(2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate (PubChem CID 161088487) has the molecular formula C92H121BrClN41O8S and a molecular weight of 2076.68 g/mol. Its IUPAC name is (2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate.

Molecular Properties

• Compound Name: (2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate
• PubChem CID: 161088487
• Molecular Formula: C92H121BrClN41O8S
• Molecular Weight: 2076.68 g/mol
• Exact Mass: 2073.89
• IUPAC Name: (2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate
• SMILES: CCCCNc1nc(N)nc2cccnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(Br)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(Cl)cnc12.CCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)OC.CSCC[C@@H](CO)Nc1nc(N)nc2cccnc12.Nc1nc(NCCCO)c2ncccc2n1.Nc1nc(NCCO)c2ncccc2n1.[C-]#[N+]c1cnc2c(N[C@H](CO)CCC)nc(N)nc2c1
• InChI: InChI=1S/C13H16N6O.C13H17N5O2.C12H16BrN5O.C12H16ClN5O.C12H17N5OS.C11H15N5.C10H13N5O.C9H11N5O/c1-3-4-8(7-20)17-12-11-10(18-13(14)19-12)5-9(15-2)6-16-11;1-3-5-9(12(19)20-2)16-11-10-8(6-4-7-15-10)17-13(14)18-11;2*1-2-3-8(6-19)16-11-10-9(17-12(14)18-11)4-7(13)5-15-10;1-19-6-4-8(7-18)15-11-10-9(3-2-5-14-10)16-12(13)17-11;1-2-3-6-14-10-9-8(5-4-7-13-9)15-11(12)16-10;11-10-14-7-3-1-4-12-8(7)9(15-10)13-5-2-6-16;10-9-13-6-2-1-3-11-7(6)8(14-9)12-4-5-15/h5-6,8,20H,3-4,7H2,1H3,(H3,14,17,18,19);4,6-7,9H,3,5H2,1-2H3,(H3,14,16,17,18);2*4-5,8,19H,2-3,6H2,1H3,(H3,14,16,17,18);2-3,5,8,18H,4,6-7H2,1H3,(H3,13,15,16,17);4-5,7H,2-3,6H2,1H3,(H3,12,14,15,16);1,3-4,16H,2,5-6H2,(H3,11,13,14,15);1-3,15H,4-5H2,(H3,10,12,13,14)/t8-;9-;3*8-;;;/m00000.../s1
• InChIKey: UGVSFTREQWXKRV-IOAHYNCNSA-N
• XLogP: 10.23
• TPSA: 765.80 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 49
• Rotatable Bonds: 37
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2076.68
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate?

The IUPAC name of (2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate (CID 161088487) is (2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate.

What is the SMILES notation for (2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate?

The canonical SMILES for (2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate is CCCCNc1nc(N)nc2cccnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(Br)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(Cl)cnc12.CCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)OC.CSCC[C@@H](CO)Nc1nc(N)nc2cccnc12.Nc1nc(NCCCO)c2ncccc2n1.Nc1nc(NCCO)c2ncccc2n1.[C-]#[N+]c1cnc2c(N[C@H](CO)CCC)nc(N)nc2c1.

What is the InChIKey of (2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate?

The InChIKey is UGVSFTREQWXKRV-IOAHYNCNSA-N. The full InChI is InChI=1S/C13H16N6O.C13H17N5O2.C12H16BrN5O.C12H16ClN5O.C12H17N5OS.C11H15N5.C10H13N5O.C9H11N5O/c1-3-4-8(7-20)17-12-11-10(18-13(14)19-12)5-9(15-2)6-16-11;1-3-5-9(12(19)20-2)16-11-10-8(6-4-7-15-10)17-13(14)18-11;2*1-2-3-8(6-19)16-11-10-9(17-12(14)18-11)4-7(13)5-15-10;1-19-6-4-8(7-18)15-11-10-9(3-2-5-14-10)16-12(13)17-11;1-2-3-6-14-10-9-8(5-4-7-13-9)15-11(12)16-10;11-10-14-7-3-1-4-12-8(7)9(15-10)13-5-2-6-16;10-9-13-6-2-1-3-11-7(6)8(14-9)12-4-5-15/h5-6,8,20H,3-4,7H2,1H3,(H3,14,17,18,19);4,6-7,9H,3,5H2,1-2H3,(H3,14,16,17,18);2*4-5,8,19H,2-3,6H2,1H3,(H3,14,16,17,18);2-3,5,8,18H,4,6-7H2,1H3,(H3,13,15,16,17);4-5,7H,2-3,6H2,1H3,(H3,12,14,15,16);1,3-4,16H,2,5-6H2,(H3,11,13,14,15);1-3,15H,4-5H2,(H3,10,12,13,14)/t8-;9-;3*8-;;;/m00000.../s1.

What are the key properties of (2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate?

(2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate has a molecular weight of 2076.68 g/mol, XLogP of 10.23, 37 rotatable bonds, 22 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate is sourced from PubChem (CID 161088487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).