(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine

C85H119ClF3N37O5 — CID 167646127

About (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine

(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 167646127) has the molecular formula C85H119ClF3N37O5 and a molecular weight of 1831.59 g/mol. Its IUPAC name is (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 167646127
• Molecular Formula: C85H119ClF3N37O5
• Molecular Weight: 1831.59 g/mol
• Exact Mass: 1829.98
• IUPAC Name: (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine
• SMILES: CCCCNc1nc(N)nc2cc(Cl)cnc12.CCCC[C@@H](CO)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@H](CN)Nc1nc(N)nc2cccnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(F)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(F)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(OC)cnc12.C[C@@H](CN)Nc1nc(N)nc2cccnc12
• InChI: InChI=1S/2C13H18FN5O.C13H20N6.C13H19N5O2.C12H16FN5O.C11H14ClN5.C10H14N6/c2*1-2-3-4-9(7-20)17-12-11-10(18-13(15)19-12)5-8(14)6-16-11;1-2-3-5-9(8-14)17-12-11-10(6-4-7-16-11)18-13(15)19-12;1-3-4-8(7-19)16-12-11-10(17-13(14)18-12)5-9(20-2)6-15-11;1-2-3-8(6-19)16-11-10-9(17-12(14)18-11)4-7(13)5-15-10;1-2-3-4-14-10-9-8(16-11(13)17-10)5-7(12)6-15-9;1-6(5-11)14-9-8-7(3-2-4-13-8)15-10(12)16-9/h2*5-6,9,20H,2-4,7H2,1H3,(H3,15,17,18,19);4,6-7,9H,2-3,5,8,14H2,1H3,(H3,15,17,18,19);5-6,8,19H,3-4,7H2,1-2H3,(H3,14,16,17,18);4-5,8,19H,2-3,6H2,1H3,(H3,14,16,17,18);5-6H,2-4H2,1H3,(H3,13,14,16,17);2-4,6H,5,11H2,1H3,(H3,12,14,15,16)/t3*9-;2*8-;;6-/m10100.0/s1
• InChIKey: PWZBGAIRAJQCCT-HWZWXQFISA-N
• XLogP: 10.30
• TPSA: 679.23 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 42
• Rotatable Bonds: 36
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1831.59
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine (CID 167646127) is (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine is CCCCNc1nc(N)nc2cc(Cl)cnc12.CCCC[C@@H](CO)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@H](CN)Nc1nc(N)nc2cccnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(F)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(F)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(OC)cnc12.C[C@@H](CN)Nc1nc(N)nc2cccnc12.

What is the InChIKey of (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is PWZBGAIRAJQCCT-HWZWXQFISA-N. The full InChI is InChI=1S/2C13H18FN5O.C13H20N6.C13H19N5O2.C12H16FN5O.C11H14ClN5.C10H14N6/c2*1-2-3-4-9(7-20)17-12-11-10(18-13(15)19-12)5-8(14)6-16-11;1-2-3-5-9(8-14)17-12-11-10(6-4-7-16-11)18-13(15)19-12;1-3-4-8(7-19)16-12-11-10(17-13(14)18-12)5-9(20-2)6-15-11;1-2-3-8(6-19)16-11-10-9(17-12(14)18-11)4-7(13)5-15-10;1-2-3-4-14-10-9-8(16-11(13)17-10)5-7(12)6-15-9;1-6(5-11)14-9-8-7(3-2-4-13-8)15-10(12)16-9/h2*5-6,9,20H,2-4,7H2,1H3,(H3,15,17,18,19);4,6-7,9H,2-3,5,8,14H2,1H3,(H3,15,17,18,19);5-6,8,19H,3-4,7H2,1-2H3,(H3,14,16,17,18);4-5,8,19H,2-3,6H2,1H3,(H3,14,16,17,18);5-6H,2-4H2,1H3,(H3,13,14,16,17);2-4,6H,5,11H2,1H3,(H3,12,14,15,16)/t3*9-;2*8-;;6-/m10100.0/s1.

What are the key properties of (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine?

(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1831.59 g/mol, XLogP of 10.30, 36 rotatable bonds, 20 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 167646127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).