3-aminopyridine-4-carboxylic acid;2-chloro-N-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloropyrido[3,4-d]pyrimidine;3-fluoro-4-methylpyridine;bis(2-(3-fluoro-4-pyridinyl)-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,4-d]pyrimidin-4-amine);phosphoryl trichloride;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1,1,1-trifluoro-N-methylpropan-2-amine;urea

C74H68Cl6F15N26O6P — CID 159255841

About 3-aminopyridine-4-carboxylic acid;2-chloro-N-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloropyrido[3,4-d]pyrimidine;3-fluoro-4-methylpyridine;bis(2-(3-fluoro-4-pyridinyl)-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,4-d]pyrimidin-4-amine);phosphoryl trichloride;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1,1,1-trifluoro-N-methylpropan-2-amine;urea

3-aminopyridine-4-carboxylic acid;2-chloro-N-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloropyrido[3,4-d]pyrimidine;3-fluoro-4-methylpyridine;bis(2-(3-fluoro-4-pyridinyl)-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,4-d]pyrimidin-4-amine);phosphoryl trichloride;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1,1,1-trifluoro-N-methylpropan-2-amine;urea (PubChem CID 159255841) has the molecular formula C74H68Cl6F15N26O6P and a molecular weight of 1946.20 g/mol. Its IUPAC name is 3-aminopyridine-4-carboxylic acid;2-chloro-N-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloropyrido[3,4-d]pyrimidine;3-fluoro-4-methylpyridine;bis(2-(3-fluoro-4-pyridinyl)-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,4-d]pyrimidin-4-amine);phosphoryl trichloride;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1,1,1-trifluoro-N-methylpropan-2-amine;urea.

Molecular Properties

• Compound Name: 3-aminopyridine-4-carboxylic acid;2-chloro-N-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloropyrido[3,4-d]pyrimidine;3-fluoro-4-methylpyridine;bis(2-(3-fluoro-4-pyridinyl)-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,4-d]pyrimidin-4-amine);phosphoryl trichloride;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1,1,1-trifluoro-N-methylpropan-2-amine;urea
• PubChem CID: 159255841
• Molecular Formula: C74H68Cl6F15N26O6P
• Molecular Weight: 1946.20 g/mol
• Exact Mass: 1942.34
• IUPAC Name: 3-aminopyridine-4-carboxylic acid;2-chloro-N-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloropyrido[3,4-d]pyrimidine;3-fluoro-4-methylpyridine;bis(2-(3-fluoro-4-pyridinyl)-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,4-d]pyrimidin-4-amine);phosphoryl trichloride;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1,1,1-trifluoro-N-methylpropan-2-amine;urea
• SMILES: CC(N(C)c1nc(Cl)nc2cnccc12)C(F)(F)F.CNC(C)C(F)(F)F.C[C@H](N(C)c1nc(-c2ccncc2F)nc2cnccc12)C(F)(F)F.C[C@H](N(C)c1nc(-c2ccncc2F)nc2cnccc12)C(F)(F)F.Cc1ccncc1F.Clc1nc(Cl)c2ccncc2n1.NC(N)=O.Nc1cnccc1C(=O)O.O=P(Cl)(Cl)Cl.O=c1[nH]c(=O)c2ccncc2[nH]1
• InChI: InChI=1S/2C16H13F4N5.C11H10ClF3N4.C7H3Cl2N3.C7H5N3O2.C6H6FN.C6H6N2O2.C4H8F3N.CH4N2O.Cl3OP/c2*1-9(16(18,19)20)25(2)15-11-4-6-22-8-13(11)23-14(24-15)10-3-5-21-7-12(10)17;1-6(11(13,14)15)19(2)9-7-3-4-16-5-8(7)17-10(12)18-9;8-6-4-1-2-10-3-5(4)11-7(9)12-6;11-6-4-1-2-8-3-5(4)9-7(12)10-6;1-5-2-3-8-4-6(5)7;7-5-3-8-2-1-4(5)6(9)10;1-3(8-2)4(5,6)7;2-1(3)4;1-5(2,3)4/h2*3-9H,1-2H3;3-6H,1-2H3;1-3H;1-3H,(H2,9,10,11,12);2-4H,1H3;1-3H,7H2,(H,9,10);3,8H,1-2H3;(H4,2,3,4);/t2*9-;;;;;;;;/m00......../s1
• InChIKey: KVWQKNHAHDVPQL-WVTGKNHZSA-N
• XLogP: 17.12
• TPSA: 456.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1946.20
LogP ≤ 5	17.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-aminopyridine-4-carboxylic acid;2-chloro-N-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloropyrido[3,4-d]pyrimidine;3-fluoro-4-methylpyridine;bis(2-(3-fluoro-4-pyridinyl)-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,4-d]pyrimidin-4-amine);phosphoryl trichloride;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1,1,1-trifluoro-N-methylpropan-2-amine;urea?

The IUPAC name of 3-aminopyridine-4-carboxylic acid;2-chloro-N-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloropyrido[3,4-d]pyrimidine;3-fluoro-4-methylpyridine;bis(2-(3-fluoro-4-pyridinyl)-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,4-d]pyrimidin-4-amine);phosphoryl trichloride;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1,1,1-trifluoro-N-methylpropan-2-amine;urea (CID 159255841) is 3-aminopyridine-4-carboxylic acid;2-chloro-N-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloropyrido[3,4-d]pyrimidine;3-fluoro-4-methylpyridine;bis(2-(3-fluoro-4-pyridinyl)-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,4-d]pyrimidin-4-amine);phosphoryl trichloride;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1,1,1-trifluoro-N-methylpropan-2-amine;urea.

What is the SMILES notation for 3-aminopyridine-4-carboxylic acid;2-chloro-N-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloropyrido[3,4-d]pyrimidine;3-fluoro-4-methylpyridine;bis(2-(3-fluoro-4-pyridinyl)-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,4-d]pyrimidin-4-amine);phosphoryl trichloride;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1,1,1-trifluoro-N-methylpropan-2-amine;urea?

The canonical SMILES for 3-aminopyridine-4-carboxylic acid;2-chloro-N-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloropyrido[3,4-d]pyrimidine;3-fluoro-4-methylpyridine;bis(2-(3-fluoro-4-pyridinyl)-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,4-d]pyrimidin-4-amine);phosphoryl trichloride;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1,1,1-trifluoro-N-methylpropan-2-amine;urea is CC(N(C)c1nc(Cl)nc2cnccc12)C(F)(F)F.CNC(C)C(F)(F)F.C[C@H](N(C)c1nc(-c2ccncc2F)nc2cnccc12)C(F)(F)F.C[C@H](N(C)c1nc(-c2ccncc2F)nc2cnccc12)C(F)(F)F.Cc1ccncc1F.Clc1nc(Cl)c2ccncc2n1.NC(N)=O.Nc1cnccc1C(=O)O.O=P(Cl)(Cl)Cl.O=c1[nH]c(=O)c2ccncc2[nH]1.

What is the InChIKey of 3-aminopyridine-4-carboxylic acid;2-chloro-N-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloropyrido[3,4-d]pyrimidine;3-fluoro-4-methylpyridine;bis(2-(3-fluoro-4-pyridinyl)-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,4-d]pyrimidin-4-amine);phosphoryl trichloride;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1,1,1-trifluoro-N-methylpropan-2-amine;urea?

The InChIKey is KVWQKNHAHDVPQL-WVTGKNHZSA-N. The full InChI is InChI=1S/2C16H13F4N5.C11H10ClF3N4.C7H3Cl2N3.C7H5N3O2.C6H6FN.C6H6N2O2.C4H8F3N.CH4N2O.Cl3OP/c2*1-9(16(18,19)20)25(2)15-11-4-6-22-8-13(11)23-14(24-15)10-3-5-21-7-12(10)17;1-6(11(13,14)15)19(2)9-7-3-4-16-5-8(7)17-10(12)18-9;8-6-4-1-2-10-3-5(4)11-7(9)12-6;11-6-4-1-2-8-3-5(4)9-7(12)10-6;1-5-2-3-8-4-6(5)7;7-5-3-8-2-1-4(5)6(9)10;1-3(8-2)4(5,6)7;2-1(3)4;1-5(2,3)4/h2*3-9H,1-2H3;3-6H,1-2H3;1-3H;1-3H,(H2,9,10,11,12);2-4H,1H3;1-3H,7H2,(H,9,10);3,8H,1-2H3;(H4,2,3,4);/t2*9-;;;;;;;;/m00......../s1.

What are the key properties of 3-aminopyridine-4-carboxylic acid;2-chloro-N-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloropyrido[3,4-d]pyrimidine;3-fluoro-4-methylpyridine;bis(2-(3-fluoro-4-pyridinyl)-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,4-d]pyrimidin-4-amine);phosphoryl trichloride;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1,1,1-trifluoro-N-methylpropan-2-amine;urea?

3-aminopyridine-4-carboxylic acid;2-chloro-N-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloropyrido[3,4-d]pyrimidine;3-fluoro-4-methylpyridine;bis(2-(3-fluoro-4-pyridinyl)-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,4-d]pyrimidin-4-amine);phosphoryl trichloride;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1,1,1-trifluoro-N-methylpropan-2-amine;urea has a molecular weight of 1946.20 g/mol, XLogP of 17.12, 10 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-aminopyridine-4-carboxylic acid;2-chloro-N-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloropyrido[3,4-d]pyrimidine;3-fluoro-4-methylpyridine;bis(2-(3-fluoro-4-pyridinyl)-N-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,4-d]pyrimidin-4-amine);phosphoryl trichloride;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1,1,1-trifluoro-N-methylpropan-2-amine;urea is sourced from PubChem (CID 159255841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).