6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

C18H18N4O2 — CID 109367985

IUPAC6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccco2)cc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C18H18N4O2/c1-13-20-16(18(23)22(2)14-7-4-3-5-8-14)11-17(21-13)19-12-15-9-6-10-24-15/h3-11H,12H2,1-2H3,(H,19,20,21)
InChIKeyPTERCCUXUFCLLT-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.27
Rot. Bonds5

About 6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109367985) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109367985
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccco2)cc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C18H18N4O2/c1-13-20-16(18(23)22(2)14-7-4-3-5-8-14)11-17(21-13)19-12-15-9-6-10-24-15/h3-11H,12H2,1-2H3,(H,19,20,21)
InChIKeyPTERCCUXUFCLLT-UHFFFAOYSA-N
XLogP3.27
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109326830
6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370374
6-[(2-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370228
N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109361756
6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109367982
(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109367950
N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373533
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367935
N-(2-fluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368005
N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367930
2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109367986
6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109373626

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (CID 109367985) is 6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is Cc1nc(NCc2ccco2)cc(C(=O)N(C)c2ccccc2)n1.
What is the InChIKey of 6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is PTERCCUXUFCLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-20-16(18(23)22(2)14-7-4-3-5-8-14)11-17(21-13)19-12-15-9-6-10-24-15/h3-11H,12H2,1-2H3,(H,19,20,21).
What are the key properties of 6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109367985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).