2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

C17H15ClN4O3 — CID 109303517

IUPAC2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1nccc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H15ClN4O3/c1-24-15-5-4-11(18)9-14(15)22-17-19-7-6-13(21-17)16(23)20-10-12-3-2-8-25-12/h2-9H,10H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyADZVVYUCOXFRSP-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.41
Rot. Bonds6

About 2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109303517) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109303517
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1nccc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H15ClN4O3/c1-24-15-5-4-11(18)9-14(15)22-17-19-7-6-13(21-17)16(23)20-10-12-3-2-8-25-12/h2-9H,10H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyADZVVYUCOXFRSP-UHFFFAOYSA-N
XLogP3.41
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303347
6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346394
2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295047
2-[(3,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303450
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303563
ethyl 2-[[4-(furan-2-ylmethylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109303578
6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1158968
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109327005
N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327013
3-N-(5-chloro-2-methoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054027
2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304925
6-N-(2,5-dichlorophenyl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097197

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109303517) is 2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is COc1ccc(Cl)cc1Nc1nccc(C(=O)NCc2ccco2)n1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is ADZVVYUCOXFRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-24-15-5-4-11(18)9-14(15)22-17-19-7-6-13(21-17)16(23)20-10-12-3-2-8-25-12/h2-9H,10H2,1H3,(H,20,23)(H,19,21,22).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).