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

C18H18N4O2 — CID 109367982

IUPAC6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccco2)cc(C(=O)Nc2ccccc2C)n1
InChIInChI=1S/C18H18N4O2/c1-12-6-3-4-8-15(12)22-18(23)16-10-17(21-13(2)20-16)19-11-14-7-5-9-24-14/h3-10H,11H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyRWXJAUBXHNGCPZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.55
Rot. Bonds5

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

6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109367982) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109367982
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccco2)cc(C(=O)Nc2ccccc2C)n1
InChIInChI=1S/C18H18N4O2/c1-12-6-3-4-8-15(12)22-18(23)16-10-17(21-13(2)20-16)19-11-14-7-5-9-24-14/h3-10H,11H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyRWXJAUBXHNGCPZ-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-(2-fluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368005
6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109368044
N-(furan-2-ylmethyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109368133
N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368048
N-(3,4-difluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368072
N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109361756
N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367930
6-(tert-butylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109373670
6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109367985
6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368287
N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367979
6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368156

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide (CID 109367982) is 6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide is Cc1nc(NCc2ccco2)cc(C(=O)Nc2ccccc2C)n1.
What is the InChIKey of 6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is RWXJAUBXHNGCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-6-3-4-8-15(12)22-18(23)16-10-17(21-13(2)20-16)19-11-14-7-5-9-24-14/h3-10H,11H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of 6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
6-(furan-2-ylmethylamino)-2-methyl-N-(2-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 6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109367982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).