2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

C18H18N4O2 — CID 109326828

IUPAC2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C)nc(NCc3ccco3)n2)c1
InChIInChI=1S/C18H18N4O2/c1-12-5-3-6-14(9-12)21-17(23)16-10-13(2)20-18(22-16)19-11-15-7-4-8-24-15/h3-10H,11H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyHVLXUNRBLKNKRA-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.55
Rot. Bonds5

About 2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109326828) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109326828
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C)nc(NCc3ccco3)n2)c1
InChIInChI=1S/C18H18N4O2/c1-12-5-3-6-14(9-12)21-17(23)16-10-13(2)20-18(22-16)19-11-15-7-4-8-24-15/h3-10H,11H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyHVLXUNRBLKNKRA-UHFFFAOYSA-N
XLogP3.55
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326853
2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319469
N-(2-ethylphenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326839
N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326904
N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327646
N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368048
2-(3-bromoanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109335028
2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109326812
N-(4-chlorophenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327627
2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109326830
2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326998
2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303311

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109326828) is 2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2cc(C)nc(NCc3ccco3)n2)c1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is HVLXUNRBLKNKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-5-3-6-14(9-12)21-17(23)16-10-13(2)20-18(22-16)19-11-15-7-4-8-24-15/h3-10H,11H2,1-2H3,(H,21,23)(H,19,20,22).
What are the key properties of 2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109326828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).