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

C20H25ClN4O2 — CID 109311611

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1nccc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C20H25ClN4O2/c1-13-11-17(18(27-2)12-15(13)21)25-20-22-10-9-16(24-20)19(26)23-14-7-5-3-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyFROAOVAQDALKFT-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.64
Rot. Bonds5

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

2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide (PubChem CID 109311611) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide
PubChem CID109311611
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1nccc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C20H25ClN4O2/c1-13-11-17(18(27-2)12-15(13)21)25-20-22-10-9-16(24-20)19(26)23-14-7-5-3-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyFROAOVAQDALKFT-UHFFFAOYSA-N
XLogP4.64
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204886
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204162
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250448
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249701
N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109295850
[2-(4-chloro-2-methoxy-5-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302358
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
ethyl 2-[[4-(cycloheptylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109311613
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311840
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317289
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322086
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-cycloheptylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide (CID 109311611) is 2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide is COc1cc(Cl)c(C)cc1Nc1nccc(C(=O)NC2CCCCCC2)n1.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide?
The InChIKey is FROAOVAQDALKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-13-11-17(18(27-2)12-15(13)21)25-20-22-10-9-16(24-20)19(26)23-14-7-5-3-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide?
2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 4.64, 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-cycloheptylpyrimidine-4-carboxamide is sourced from PubChem (CID 109311611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).