(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[2,7-bis[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-diaminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,2,2-trifluoroacetaldehyde

C102H157Cl3F5N23O12 — CID 165100409

About (2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[2,7-bis[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-diaminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,2,2-trifluoroacetaldehyde

(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[2,7-bis[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-diaminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,2,2-trifluoroacetaldehyde (PubChem CID 165100409) has the molecular formula C102H157Cl3F5N23O12 and a molecular weight of 2098.88 g/mol. Its IUPAC name is (2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[2,7-bis[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-diaminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: (2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[2,7-bis[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-diaminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,2,2-trifluoroacetaldehyde
• PubChem CID: 165100409
• Molecular Formula: C102H157Cl3F5N23O12
• Molecular Weight: 2098.88 g/mol
• Exact Mass: 2096.14
• IUPAC Name: (2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[2,7-bis[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-diaminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,2,2-trifluoroacetaldehyde
• SMILES: CCCC[C@@](C)(N)CO.CCCC[C@](C)(CO)Nc1nc(Cl)nc2cc(F)cnc12.CCCC[C@](C)(CO)Nc1nc(N)nc2cc(N)cnc12.CCCC[C@](C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(NCc3ccc(OC)cc3OC)cnc12.CCN(C(C)C)C(C)C.CCN(C(C)C)C(C)C.CO.COc1ccc(CN)c(OC)c1.Fc1cnc2c(Cl)nc(Cl)nc2c1.O=CC(F)(F)F
• InChI: InChI=1S/C32H42N6O5.C14H18ClFN4O.C14H22N6O.C9H13NO2.2C8H19N.C7H2Cl2FN3.C7H17NO.C2HF3O.CH4O/c1-7-8-13-32(2,20-39)38-30-29-26(36-31(37-30)35-18-22-10-12-25(41-4)16-28(22)43-6)14-23(19-34-29)33-17-21-9-11-24(40-3)15-27(21)42-5;1-3-4-5-14(2,8-21)20-12-11-10(18-13(15)19-12)6-9(16)7-17-11;1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11;1-11-8-4-3-7(6-10)9(5-8)12-2;2*1-6-9(7(2)3)8(4)5;8-6-5-4(12-7(9)13-6)1-3(10)2-11-5;1-3-4-5-7(2,8)6-9;3-2(4,5)1-6;1-2/h9-12,14-16,19,33,39H,7-8,13,17-18,20H2,1-6H3,(H2,35,36,37,38);6-7,21H,3-5,8H2,1-2H3,(H,18,19,20);6-7,21H,3-5,8,15H2,1-2H3,(H3,16,18,19,20);3-5H,6,10H2,1-2H3;2*7-8H,6H2,1-5H3;1-2H;9H,3-6,8H2,1-2H3;1H;2H,1H3/t32-;2*14-;;;;;7-;;/m111....1../s1
• InChIKey: YFNZEAJPVAVIDG-PIWWERCJSA-N
• XLogP: 19.48
• TPSA: 498.99 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 35
• Rotatable Bonds: 41
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2098.88
LogP ≤ 5	19.48
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[2,7-bis[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-diaminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,2,2-trifluoroacetaldehyde?

The IUPAC name of (2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[2,7-bis[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-diaminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,2,2-trifluoroacetaldehyde (CID 165100409) is (2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[2,7-bis[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-diaminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for (2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[2,7-bis[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-diaminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for (2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[2,7-bis[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-diaminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,2,2-trifluoroacetaldehyde is CCCC[C@@](C)(N)CO.CCCC[C@](C)(CO)Nc1nc(Cl)nc2cc(F)cnc12.CCCC[C@](C)(CO)Nc1nc(N)nc2cc(N)cnc12.CCCC[C@](C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(NCc3ccc(OC)cc3OC)cnc12.CCN(C(C)C)C(C)C.CCN(C(C)C)C(C)C.CO.COc1ccc(CN)c(OC)c1.Fc1cnc2c(Cl)nc(Cl)nc2c1.O=CC(F)(F)F.

What is the InChIKey of (2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[2,7-bis[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-diaminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,2,2-trifluoroacetaldehyde?

The InChIKey is YFNZEAJPVAVIDG-PIWWERCJSA-N. The full InChI is InChI=1S/C32H42N6O5.C14H18ClFN4O.C14H22N6O.C9H13NO2.2C8H19N.C7H2Cl2FN3.C7H17NO.C2HF3O.CH4O/c1-7-8-13-32(2,20-39)38-30-29-26(36-31(37-30)35-18-22-10-12-25(41-4)16-28(22)43-6)14-23(19-34-29)33-17-21-9-11-24(40-3)15-27(21)42-5;1-3-4-5-14(2,8-21)20-12-11-10(18-13(15)19-12)6-9(16)7-17-11;1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11;1-11-8-4-3-7(6-10)9(5-8)12-2;2*1-6-9(7(2)3)8(4)5;8-6-5-4(12-7(9)13-6)1-3(10)2-11-5;1-3-4-5-7(2,8)6-9;3-2(4,5)1-6;1-2/h9-12,14-16,19,33,39H,7-8,13,17-18,20H2,1-6H3,(H2,35,36,37,38);6-7,21H,3-5,8H2,1-2H3,(H,18,19,20);6-7,21H,3-5,8,15H2,1-2H3,(H3,16,18,19,20);3-5H,6,10H2,1-2H3;2*7-8H,6H2,1-5H3;1-2H;9H,3-6,8H2,1-2H3;1H;2H,1H3/t32-;2*14-;;;;;7-;;/m111....1../s1.

What are the key properties of (2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[2,7-bis[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-diaminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,2,2-trifluoroacetaldehyde?

(2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[2,7-bis[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-diaminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,2,2-trifluoroacetaldehyde has a molecular weight of 2098.88 g/mol, XLogP of 19.48, 41 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-2-methylhexan-1-ol;(2R)-2-[[2,7-bis[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;(2R)-2-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(2R)-2-[(2,7-diaminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);methanol;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 165100409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).