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

C18H18N4O2 — CID 109326830

IUPAC2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2ccccc2)nc(NCc2ccco2)n1
InChIInChI=1S/C18H18N4O2/c1-13-11-16(17(23)22(2)14-7-4-3-5-8-14)21-18(20-13)19-12-15-9-6-10-24-15/h3-11H,12H2,1-2H3,(H,19,20,21)
InChIKeyIBCGUPXMPUIQPM-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.27
Rot. Bonds5

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

2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109326830) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109326830
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2ccccc2)nc(NCc2ccco2)n1
InChIInChI=1S/C18H18N4O2/c1-13-11-16(17(23)22(2)14-7-4-3-5-8-14)21-18(20-13)19-12-15-9-6-10-24-15/h3-11H,12H2,1-2H3,(H,19,20,21)
InChIKeyIBCGUPXMPUIQPM-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

6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109367985
N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109330141
N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109327605
2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109326812
2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319469
2-[(3,4-dimethoxyphenyl)methylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109331757
2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109330815
N-(2-ethylphenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326839
2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109326828
N-(3-chlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326853
N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334890
N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326904

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide (CID 109326830) is 2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)c2ccccc2)nc(NCc2ccco2)n1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is IBCGUPXMPUIQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-11-16(17(23)22(2)14-7-4-3-5-8-14)21-18(20-13)19-12-15-9-6-10-24-15/h3-11H,12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
2-(furan-2-ylmethylamino)-N,6-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 2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109326830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).