2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide

C17H16N4O2 — CID 59022943

IUPAC2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(-c2ccco2)nc(N)n1
InChIInChI=1S/C17H16N4O2/c1-21(11-12-6-3-2-4-7-12)16(22)14-10-13(19-17(18)20-14)15-8-5-9-23-15/h2-10H,11H2,1H3,(H2,18,19,20)
InChIKeyUHNOPDOJJSMHHC-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.59
Rot. Bonds4

About 2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide

2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide (PubChem CID 59022943) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide
PubChem CID59022943
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(-c2ccco2)nc(N)n1
InChIInChI=1S/C17H16N4O2/c1-21(11-12-6-3-2-4-7-12)16(22)14-10-13(19-17(18)20-14)15-8-5-9-23-15/h2-10H,11H2,1H3,(H2,18,19,20)
InChIKeyUHNOPDOJJSMHHC-UHFFFAOYSA-N
XLogP2.59
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide
CID 42879277
2-amino-6-(furan-2-yl)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 11737091
5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
CID 91186891
3-amino-N-benzyl-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 55114994
[2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 11173320
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109097082
N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 36702476
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 75360077
2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 11473907
2-amino-6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 11416733
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide (CID 59022943) is 2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide is CN(Cc1ccccc1)C(=O)c1cc(-c2ccco2)nc(N)n1.
What is the InChIKey of 2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide?
The InChIKey is UHNOPDOJJSMHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21(11-12-6-3-2-4-7-12)16(22)14-10-13(19-17(18)20-14)15-8-5-9-23-15/h2-10H,11H2,1H3,(H2,18,19,20).
What are the key properties of 2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide?
2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 59022943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).