(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;methane;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-1,1,1-trifluoropropan-2-amine

C95H132F9N21O8 — CID 158600846

About (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;methane;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-1,1,1-trifluoropropan-2-amine

(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;methane;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-1,1,1-trifluoropropan-2-amine (PubChem CID 158600846) has the molecular formula C95H132F9N21O8 and a molecular weight of 1867.22 g/mol. Its IUPAC name is (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;methane;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

• Compound Name: (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;methane;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-1,1,1-trifluoropropan-2-amine
• PubChem CID: 158600846
• Molecular Formula: C95H132F9N21O8
• Molecular Weight: 1867.22 g/mol
• Exact Mass: 1866.04
• IUPAC Name: (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;methane;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-1,1,1-trifluoropropan-2-amine
• SMILES: C.CCCC[C@](C)(C=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.CCCC[C@](C)(CC[C@@H](C)C(F)(F)F)Nc1nc(N)nc2cccnc12.CCCC[C@](C)(CC[C@@H](C)C(F)(F)F)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.CCCC[C@](C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.C[C@H](N)C(F)(F)F
• InChI: InChI=1S/C27H36F3N5O2.C23H31N5O3.C23H29N5O3.C18H26F3N5.C3H6F3N.CH4/c1-6-7-13-26(3,14-12-18(2)27(28,29)30)35-24-23-21(9-8-15-31-23)33-25(34-24)32-17-19-10-11-20(36-4)16-22(19)37-5;2*1-5-6-11-23(2,15-29)28-21-20-18(8-7-12-24-20)26-22(27-21)25-14-16-9-10-17(30-3)13-19(16)31-4;1-4-5-9-17(3,10-8-12(2)18(19,20)21)26-15-14-13(7-6-11-23-14)24-16(22)25-15;1-2(7)3(4,5)6;/h8-11,15-16,18H,6-7,12-14,17H2,1-5H3,(H2,32,33,34,35);7-10,12-13,29H,5-6,11,14-15H2,1-4H3,(H2,25,26,27,28);7-10,12-13,15H,5-6,11,14H2,1-4H3,(H2,25,26,27,28);6-7,11-12H,4-5,8-10H2,1-3H3,(H3,22,24,25,26);2H,7H2,1H3;1H4/t18-,26-;2*23-;12-,17-;2-;/m11110./s1
• InChIKey: HVPRRDOZLOHMLA-GUAUODOMSA-N
• XLogP: 21.69
• TPSA: 383.61 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 43
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1867.22
LogP ≤ 5	21.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;methane;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-1,1,1-trifluoropropan-2-amine?

The IUPAC name of (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;methane;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-1,1,1-trifluoropropan-2-amine (CID 158600846) is (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;methane;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-1,1,1-trifluoropropan-2-amine.

What is the SMILES notation for (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;methane;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-1,1,1-trifluoropropan-2-amine?

The canonical SMILES for (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;methane;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-1,1,1-trifluoropropan-2-amine is C.CCCC[C@](C)(C=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.CCCC[C@](C)(CC[C@@H](C)C(F)(F)F)Nc1nc(N)nc2cccnc12.CCCC[C@](C)(CC[C@@H](C)C(F)(F)F)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.CCCC[C@](C)(CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.C[C@H](N)C(F)(F)F.

What is the InChIKey of (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;methane;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-1,1,1-trifluoropropan-2-amine?

The InChIKey is HVPRRDOZLOHMLA-GUAUODOMSA-N. The full InChI is InChI=1S/C27H36F3N5O2.C23H31N5O3.C23H29N5O3.C18H26F3N5.C3H6F3N.CH4/c1-6-7-13-26(3,14-12-18(2)27(28,29)30)35-24-23-21(9-8-15-31-23)33-25(34-24)32-17-19-10-11-20(36-4)16-22(19)37-5;2*1-5-6-11-23(2,15-29)28-21-20-18(8-7-12-24-20)26-22(27-21)25-14-16-9-10-17(30-3)13-19(16)31-4;1-4-5-9-17(3,10-8-12(2)18(19,20)21)26-15-14-13(7-6-11-23-14)24-16(22)25-15;1-2(7)3(4,5)6;/h8-11,15-16,18H,6-7,12-14,17H2,1-5H3,(H2,32,33,34,35);7-10,12-13,29H,5-6,11,14-15H2,1-4H3,(H2,25,26,27,28);7-10,12-13,15H,5-6,11,14H2,1-4H3,(H2,25,26,27,28);6-7,11-12H,4-5,8-10H2,1-3H3,(H3,22,24,25,26);2H,7H2,1H3;1H4/t18-,26-;2*23-;12-,17-;2-;/m11110./s1.

What are the key properties of (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;methane;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-1,1,1-trifluoropropan-2-amine?

(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;methane;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-1,1,1-trifluoropropan-2-amine has a molecular weight of 1867.22 g/mol, XLogP of 21.69, 43 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexanal;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;methane;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 158600846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).