(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol;(2R)-2-amino-2-methylheptan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylheptan-1-ol;2,2,2-trifluoroacetaldehyde

C65H89Cl2F6N15O8 — CID 164948962

About (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol;(2R)-2-amino-2-methylheptan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylheptan-1-ol;2,2,2-trifluoroacetaldehyde

(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol;(2R)-2-amino-2-methylheptan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylheptan-1-ol;2,2,2-trifluoroacetaldehyde (PubChem CID 164948962) has the molecular formula C65H89Cl2F6N15O8 and a molecular weight of 1393.42 g/mol. Its IUPAC name is (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol;(2R)-2-amino-2-methylheptan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylheptan-1-ol;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol;(2R)-2-amino-2-methylheptan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylheptan-1-ol;2,2,2-trifluoroacetaldehyde
• PubChem CID: 164948962
• Molecular Formula: C65H89Cl2F6N15O8
• Molecular Weight: 1393.42 g/mol
• Exact Mass: 1391.63
• IUPAC Name: (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol;(2R)-2-amino-2-methylheptan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylheptan-1-ol;2,2,2-trifluoroacetaldehyde
• SMILES: CCCCC[C@@](C)(N)CO.CCCCC[C@](C)(CO)Nc1nc(N)nc2cc(F)cnc12.CCCCC[C@](C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)cnc12.COc1ccc(CN)c(OC)c1.Fc1cnc2c(Cl)nc(Cl)nc2c1.O=CC(F)(F)F
• InChI: InChI=1S/C24H32FN5O3.C15H22FN5O.C9H13NO2.C8H19NO.C7H2Cl2FN3.C2HF3O/c1-5-6-7-10-24(2,15-31)30-22-21-19(11-17(25)14-26-21)28-23(29-22)27-13-16-8-9-18(32-3)12-20(16)33-4;1-3-4-5-6-15(2,9-22)21-13-12-11(19-14(17)20-13)7-10(16)8-18-12;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-4-5-6-8(2,9)7-10;8-6-5-4(12-7(9)13-6)1-3(10)2-11-5;3-2(4,5)1-6/h8-9,11-12,14,31H,5-7,10,13,15H2,1-4H3,(H2,27,28,29,30);7-8,22H,3-6,9H2,1-2H3,(H3,17,19,20,21);3-5H,6,10H2,1-2H3;10H,3-7,9H2,1-2H3;1-2H;1H/t24-;15-;;8-;;/m11.1../s1
• InChIKey: AGMRDRWABXFPNV-QGCUCJFFSA-N
• XLogP: 12.68
• TPSA: 344.84 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1393.42
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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]-2-methylheptan-1-ol;(2R)-2-amino-2-methylheptan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylheptan-1-ol;2,2,2-trifluoroacetaldehyde?

The IUPAC name of (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol;(2R)-2-amino-2-methylheptan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylheptan-1-ol;2,2,2-trifluoroacetaldehyde (CID 164948962) is (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol;(2R)-2-amino-2-methylheptan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylheptan-1-ol;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol;(2R)-2-amino-2-methylheptan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylheptan-1-ol;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol;(2R)-2-amino-2-methylheptan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylheptan-1-ol;2,2,2-trifluoroacetaldehyde is CCCCC[C@@](C)(N)CO.CCCCC[C@](C)(CO)Nc1nc(N)nc2cc(F)cnc12.CCCCC[C@](C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)cnc12.COc1ccc(CN)c(OC)c1.Fc1cnc2c(Cl)nc(Cl)nc2c1.O=CC(F)(F)F.

What is the InChIKey of (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol;(2R)-2-amino-2-methylheptan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylheptan-1-ol;2,2,2-trifluoroacetaldehyde?

The InChIKey is AGMRDRWABXFPNV-QGCUCJFFSA-N. The full InChI is InChI=1S/C24H32FN5O3.C15H22FN5O.C9H13NO2.C8H19NO.C7H2Cl2FN3.C2HF3O/c1-5-6-7-10-24(2,15-31)30-22-21-19(11-17(25)14-26-21)28-23(29-22)27-13-16-8-9-18(32-3)12-20(16)33-4;1-3-4-5-6-15(2,9-22)21-13-12-11(19-14(17)20-13)7-10(16)8-18-12;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-4-5-6-8(2,9)7-10;8-6-5-4(12-7(9)13-6)1-3(10)2-11-5;3-2(4,5)1-6/h8-9,11-12,14,31H,5-7,10,13,15H2,1-4H3,(H2,27,28,29,30);7-8,22H,3-6,9H2,1-2H3,(H3,17,19,20,21);3-5H,6,10H2,1-2H3;10H,3-7,9H2,1-2H3;1-2H;1H/t24-;15-;;8-;;/m11.1../s1.

What are the key properties of (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol;(2R)-2-amino-2-methylheptan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylheptan-1-ol;2,2,2-trifluoroacetaldehyde?

(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol;(2R)-2-amino-2-methylheptan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylheptan-1-ol;2,2,2-trifluoroacetaldehyde has a molecular weight of 1393.42 g/mol, XLogP of 12.68, 27 rotatable bonds, 9 hydrogen bond donors, and 23 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]-2-methylheptan-1-ol;(2R)-2-amino-2-methylheptan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylheptan-1-ol;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 164948962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).