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

C18H18N4O2 — CID 109303249

IUPAC2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(NCc3ccco3)n2)c1
InChIInChI=1S/C18H18N4O2/c1-13-4-2-5-14(10-13)11-20-17(23)16-7-8-19-18(22-16)21-12-15-6-3-9-24-15/h2-10H,11-12H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyNXMKFSQMGJEETK-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.92
Rot. Bonds6

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

2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109303249) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109303249
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(NCc3ccco3)n2)c1
InChIInChI=1S/C18H18N4O2/c1-13-4-2-5-14(10-13)11-20-17(23)16-7-8-19-18(22-16)21-12-15-6-3-9-24-15/h2-10H,11-12H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyNXMKFSQMGJEETK-UHFFFAOYSA-N
XLogP2.92
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109303262
2-[(4-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304314
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279
2-[(3,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303450
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109301857
N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304225
2-(furan-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110690605
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301688

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109303249) is 2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1cccc(CNC(=O)c2ccnc(NCc3ccco3)n2)c1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is NXMKFSQMGJEETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-4-2-5-14(10-13)11-20-17(23)16-7-8-19-18(22-16)21-12-15-6-3-9-24-15/h2-10H,11-12H2,1H3,(H,20,23)(H,19,21,22).
What are the key properties of 2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109303249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).