6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

C17H15ClN4O3 — CID 109346394

IUPAC6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cc(C(=O)NCc2ccco2)ncn1
InChIInChI=1S/C17H15ClN4O3/c1-24-15-5-4-11(18)7-13(15)22-16-8-14(20-10-21-16)17(23)19-9-12-3-2-6-25-12/h2-8,10H,9H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyMGRWIXUYUPUXFQ-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.41
Rot. Bonds6

About 6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109346394) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109346394
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cc(C(=O)NCc2ccco2)ncn1
InChIInChI=1S/C17H15ClN4O3/c1-24-15-5-4-11(18)7-13(15)22-16-8-14(20-10-21-16)17(23)19-9-12-3-2-6-25-12/h2-8,10H,9H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyMGRWIXUYUPUXFQ-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

6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346452
2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303517
6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109338561
6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346387
6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346451
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
3-N-(5-chloro-2-methoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054027
6-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 109117625
6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357128
N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346134
N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109357807

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109346394) is 6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is COc1ccc(Cl)cc1Nc1cc(C(=O)NCc2ccco2)ncn1.
What is the InChIKey of 6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is MGRWIXUYUPUXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-24-15-5-4-11(18)7-13(15)22-16-8-14(20-10-21-16)17(23)19-9-12-3-2-6-25-12/h2-8,10H,9H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
6-(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 6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).