N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid

C39H39Cl6F3N15O4P — CID 160969733

About N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid

N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 160969733) has the molecular formula C39H39Cl6F3N15O4P and a molecular weight of 1082.53 g/mol. Its IUPAC name is N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid
• PubChem CID: 160969733
• Molecular Formula: C39H39Cl6F3N15O4P
• Molecular Weight: 1082.53 g/mol
• Exact Mass: 1079.11
• IUPAC Name: N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid
• SMILES: CCNc1nc(Cl)ccc1N.CCNc1nc(Cl)ccc1NC(=O)c1cncnc1C.CCn1c(-c2cncnc2C)nc2ccc(Cl)nc21.O=C(O)c1cncnc1C(F)(F)F.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C13H14ClN5O.C13H12ClN5.C7H10ClN3.C6H3F3N2O2.Cl3OP/c1-3-16-12-10(4-5-11(14)19-12)18-13(20)9-6-15-7-17-8(9)2;1-3-19-12(9-6-15-7-16-8(9)2)17-10-4-5-11(14)18-13(10)19;1-2-10-7-5(9)3-4-6(8)11-7;7-6(8,9)4-3(5(12)13)1-10-2-11-4;1-5(2,3)4/h4-7H,3H2,1-2H3,(H,16,19)(H,18,20);4-7H,3H2,1-2H3;3-4H,2,9H2,1H3,(H,10,11);1-2H,(H,12,13)
• InChIKey: SYCCLJLZFMHFGP-UHFFFAOYSA-N
• XLogP: 11.14
• TPSA: 267.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1082.53
LogP ≤ 5	11.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid?

The IUPAC name of N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 160969733) is N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid.

What is the SMILES notation for N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid?

The canonical SMILES for N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid is CCNc1nc(Cl)ccc1N.CCNc1nc(Cl)ccc1NC(=O)c1cncnc1C.CCn1c(-c2cncnc2C)nc2ccc(Cl)nc21.O=C(O)c1cncnc1C(F)(F)F.O=P(Cl)(Cl)Cl.

What is the InChIKey of N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid?

The InChIKey is SYCCLJLZFMHFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O.C13H12ClN5.C7H10ClN3.C6H3F3N2O2.Cl3OP/c1-3-16-12-10(4-5-11(14)19-12)18-13(20)9-6-15-7-17-8(9)2;1-3-19-12(9-6-15-7-16-8(9)2)17-10-4-5-11(14)18-13(10)19;1-2-10-7-5(9)3-4-6(8)11-7;7-6(8,9)4-3(5(12)13)1-10-2-11-4;1-5(2,3)4/h4-7H,3H2,1-2H3,(H,16,19)(H,18,20);4-7H,3H2,1-2H3;3-4H,2,9H2,1H3,(H,10,11);1-2H,(H,12,13);.

What are the key properties of N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid?

N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 1082.53 g/mol, XLogP of 11.14, 9 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-chloro-2-(ethylamino)-3-pyridinyl]-4-methylpyrimidine-5-carboxamide;5-chloro-3-ethyl-2-(4-methylpyrimidin-5-yl)imidazo[4,5-b]pyridine;6-chloro-2-N-ethylpyridine-2,3-diamine;phosphoryl trichloride;4-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 160969733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).