4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide

C18H18N4O2 — CID 42670141

IUPAC4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide
SMILESCN(C)c1nc(-c2ccccc2)ncc1C(=O)NCc1ccco1
InChIInChI=1S/C18H18N4O2/c1-22(2)17-15(18(23)20-11-14-9-6-10-24-14)12-19-16(21-17)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyWPIWCZHNZGZJMU-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.73
Rot. Bonds5

About 4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide

4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 42670141) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide
PubChem CID42670141
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide
SMILESCN(C)c1nc(-c2ccccc2)ncc1C(=O)NCc1ccco1
InChIInChI=1S/C18H18N4O2/c1-22(2)17-15(18(23)20-11-14-9-6-10-24-14)12-19-16(21-17)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyWPIWCZHNZGZJMU-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide
CID 42670143
1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765838
4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 83567625
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
4-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 42671032
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109303485
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247083
4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 53270691
N-(furan-2-ylmethyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267095

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide (CID 42670141) is 4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide is CN(C)c1nc(-c2ccccc2)ncc1C(=O)NCc1ccco1.
What is the InChIKey of 4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is WPIWCZHNZGZJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-22(2)17-15(18(23)20-11-14-9-6-10-24-14)12-19-16(21-17)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,20,23).
What are the key properties of 4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide?
4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 42670141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).