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

C19H23ClN4O2 — CID 109250448

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ncc(C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C19H23ClN4O2/c1-12-8-16(17(26-2)9-15(12)20)24-19-21-10-13(11-22-19)18(25)23-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyFBVHEONFEALVQJ-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.25
Rot. Bonds5

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

2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide (PubChem CID 109250448) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide
PubChem CID109250448
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ncc(C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C19H23ClN4O2/c1-12-8-16(17(26-2)9-15(12)20)24-19-21-10-13(11-22-19)18(25)23-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyFBVHEONFEALVQJ-UHFFFAOYSA-N
XLogP4.25
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249701
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109311611
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251840
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-cyclohexylpyridine-2-carboxamide
CID 109204886
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204162
N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109250442
N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097
1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea
CID 113036939

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide (CID 109250448) is 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide is COc1cc(Cl)c(C)cc1Nc1ncc(C(=O)NC2CCCCC2)cn1.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide?
The InChIKey is FBVHEONFEALVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-12-8-16(17(26-2)9-15(12)20)24-19-21-10-13(11-22-19)18(25)23-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide?
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 4.25, 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-cyclohexylpyrimidine-5-carboxamide is sourced from PubChem (CID 109250448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).