2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide

C15H15ClN4O — CID 109247377

IUPAC2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ncc(C(=O)NC2CC2)cn1
InChIInChI=1S/C15H15ClN4O/c1-9-6-11(16)2-5-13(9)20-15-17-7-10(8-18-15)14(21)19-12-3-4-12/h2,5-8,12H,3-4H2,1H3,(H,19,21)(H,17,18,20)
InChIKeyGJYMBMCONSNEMV-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.07
Rot. Bonds4

About 2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide

2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide (PubChem CID 109247377) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide
PubChem CID109247377
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ncc(C(=O)NC2CC2)cn1
InChIInChI=1S/C15H15ClN4O/c1-9-6-11(16)2-5-13(9)20-15-17-7-10(8-18-15)14(21)19-12-3-4-12/h2,5-8,12H,3-4H2,1H3,(H,19,21)(H,17,18,20)
InChIKeyGJYMBMCONSNEMV-UHFFFAOYSA-N
XLogP3.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109250442
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
2-N-(4-chloro-2-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078521
3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103094
1-[4-[2-(4-chloro-2-methylanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254686
N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109247436
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249701
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260068
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109267225
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250448
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide (CID 109247377) is 2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide is Cc1cc(Cl)ccc1Nc1ncc(C(=O)NC2CC2)cn1.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide?
The InChIKey is GJYMBMCONSNEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-9-6-11(16)2-5-13(9)20-15-17-7-10(8-18-15)14(21)19-12-3-4-12/h2,5-8,12H,3-4H2,1H3,(H,19,21)(H,17,18,20).
What are the key properties of 2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide?
2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide has a molecular weight of 302.77 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide is sourced from PubChem (CID 109247377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).