2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide

C17H21ClN4O2 — CID 109248614

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ncc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C17H21ClN4O2/c1-10(2)7-19-16(23)12-8-20-17(21-9-12)22-14-5-11(3)13(18)6-15(14)24-4/h5-6,8-10H,7H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyLTFGQABQMNZYGR-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.58
Rot. Bonds6

About 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide

2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide (PubChem CID 109248614) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
PubChem CID109248614
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ncc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C17H21ClN4O2/c1-10(2)7-19-16(23)12-8-20-17(21-9-12)22-14-5-11(3)13(18)6-15(14)24-4/h5-6,8-10H,7H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyLTFGQABQMNZYGR-UHFFFAOYSA-N
XLogP3.58
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251840
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249701
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265367
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250448
6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094558
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270671
5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181187
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883322
5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid
CID 28529893
6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158195
2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248556
2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248461

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide (CID 109248614) is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide is COc1cc(Cl)c(C)cc1Nc1ncc(C(=O)NCC(C)C)cn1.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The InChIKey is LTFGQABQMNZYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-10(2)7-19-16(23)12-8-20-17(21-9-12)22-14-5-11(3)13(18)6-15(14)24-4/h5-6,8-10H,7H2,1-4H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).