6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile

C15H12N4O — CID 115143279

IUPAC6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(N(C)c2coc3ccccc23)n1
InChIInChI=1S/C15H12N4O/c1-10-17-11(8-16)7-15(18-10)19(2)13-9-20-14-6-4-3-5-12(13)14/h3-7,9H,1-2H3
InChIKeyKZWZOHBSFVSGJE-UHFFFAOYSA-N
MW264.29 g/mol
LogP3.17
Rot. Bonds2

About 6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile

6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile (PubChem CID 115143279) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
PubChem CID115143279
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(N(C)c2coc3ccccc23)n1
InChIInChI=1S/C15H12N4O/c1-10-17-11(8-16)7-15(18-10)19(2)13-9-20-14-6-4-3-5-12(13)14/h3-7,9H,1-2H3
InChIKeyKZWZOHBSFVSGJE-UHFFFAOYSA-N
XLogP3.17
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile
CID 115143249
2-[1-benzofuran-3-yl(methyl)amino]acetonitrile
CID 115130924
6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
CID 115143281
2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
CID 115143283
4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117041404
3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine
CID 117040946
N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine
CID 155630972
2-(N,2-dimethylanilino)quinoline-4-carbonitrile
CID 63884306
5-(1-benzofuran-3-yl)-1H-pyrazole-3-carbonitrile
CID 116858597
N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641
5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile
CID 116858958
6-iodo-2-methylpyrimidine-4-carbonitrile
CID 130623670

Frequently Asked Questions

What is the IUPAC name of 6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile?
The IUPAC name of 6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile (CID 115143279) is 6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile is Cc1nc(C#N)cc(N(C)c2coc3ccccc23)n1.
What is the InChIKey of 6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile?
The InChIKey is KZWZOHBSFVSGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-10-17-11(8-16)7-15(18-10)19(2)13-9-20-14-6-4-3-5-12(13)14/h3-7,9H,1-2H3.
What are the key properties of 6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile?
6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 115143279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).