2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide

C18H21ClN4O2 — CID 109249701

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ncc(C(=O)NC2CCCC2)cn1
InChIInChI=1S/C18H21ClN4O2/c1-11-7-15(16(25-2)8-14(11)19)23-18-20-9-12(10-21-18)17(24)22-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyFHXPWAXWXQRWGS-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.86
Rot. Bonds5

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

2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide (PubChem CID 109249701) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide
PubChem CID109249701
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ncc(C(=O)NC2CCCC2)cn1
InChIInChI=1S/C18H21ClN4O2/c1-11-7-15(16(25-2)8-14(11)19)23-18-20-9-12(10-21-18)17(24)22-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyFHXPWAXWXQRWGS-UHFFFAOYSA-N
XLogP3.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250448
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251840
2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109311611
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248614
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265367
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204162
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204886
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
N-cyclopentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109249624
2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247377
N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109250442

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide (CID 109249701) is 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide is COc1cc(Cl)c(C)cc1Nc1ncc(C(=O)NC2CCCC2)cn1.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide?
The InChIKey is FHXPWAXWXQRWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-11-7-15(16(25-2)8-14(11)19)23-18-20-9-12(10-21-18)17(24)22-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide?
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 3.86, 5 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-cyclopentylpyrimidine-5-carboxamide is sourced from PubChem (CID 109249701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).