2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide

C13H13ClN4O — CID 154628333

IUPAC2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccc(CNc2nc(Cl)ncc2C(N)=O)cc1
InChIInChI=1S/C13H13ClN4O/c1-8-2-4-9(5-3-8)6-16-12-10(11(15)19)7-17-13(14)18-12/h2-5,7H,6H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyLTUDULPRSJKGSE-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.15
Rot. Bonds4

About 2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide

2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 154628333) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID154628333
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccc(CNc2nc(Cl)ncc2C(N)=O)cc1
InChIInChI=1S/C13H13ClN4O/c1-8-2-4-9(5-3-8)6-16-12-10(11(15)19)7-17-13(14)18-12/h2-5,7H,6H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyLTUDULPRSJKGSE-UHFFFAOYSA-N
XLogP2.15
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 79632690
2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide
CID 154628278
2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide
CID 154628232
2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 154628189
4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196702
4-(but-3-enylamino)-2-chloropyrimidine-5-carboxamide
CID 138495192
2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide
CID 154628246
2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 154628241
5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 71540501
2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxylic acid
CID 170973158
ethyl 4-[(4-carbamoylphenyl)methylamino]-2-(3-methylphenyl)pyrimidine-5-carboxylate
CID 108777741
3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 70610909

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide (CID 154628333) is 2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide is Cc1ccc(CNc2nc(Cl)ncc2C(N)=O)cc1.
What is the InChIKey of 2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is LTUDULPRSJKGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-8-2-4-9(5-3-8)6-16-12-10(11(15)19)7-17-13(14)18-12/h2-5,7H,6H2,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 154628333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).