N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide

C17H16N4O2 — CID 109346360

IUPACN-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NCc3ccco3)ncn2)c1
InChIInChI=1S/C17H16N4O2/c1-12-4-2-5-13(8-12)21-16-9-15(19-11-20-16)17(22)18-10-14-6-3-7-23-14/h2-9,11H,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyFYDLEYRHXJDRLA-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.05
Rot. Bonds5

About N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide

N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109346360) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109346360
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NCc3ccco3)ncn2)c1
InChIInChI=1S/C17H16N4O2/c1-12-4-2-5-13(8-12)21-16-9-15(19-11-20-16)17(22)18-10-14-6-3-7-23-14/h2-9,11H,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyFYDLEYRHXJDRLA-UHFFFAOYSA-N
XLogP3.05
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109117580
6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346381
6-N-(furan-2-ylmethyl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112858616
6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346387
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109346404
6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346451
6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368142
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346394
6-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346452
N-[(3-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109347230

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide (CID 109346360) is N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide is Cc1cccc(Nc2cc(C(=O)NCc3ccco3)ncn2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is FYDLEYRHXJDRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-4-2-5-13(8-12)21-16-9-15(19-11-20-16)17(22)18-10-14-6-3-7-23-14/h2-9,11H,10H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide?
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).