6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile

C14H12N4O — CID 115143207

IUPAC6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(Nc2ccc3c(c2)CCO3)n1
InChIInChI=1S/C14H12N4O/c1-9-16-12(8-15)7-14(17-9)18-11-2-3-13-10(6-11)4-5-19-13/h2-3,6-7H,4-5H2,1H3,(H,16,17,18)
InChIKeyCWQLCAKZTAVILW-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.34
Rot. Bonds2

About 6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile

6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile (PubChem CID 115143207) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile
PubChem CID115143207
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(Nc2ccc3c(c2)CCO3)n1
InChIInChI=1S/C14H12N4O/c1-9-16-12(8-15)7-14(17-9)18-11-2-3-13-10(6-11)4-5-19-13/h2-3,6-7H,4-5H2,1H3,(H,16,17,18)
InChIKeyCWQLCAKZTAVILW-UHFFFAOYSA-N
XLogP2.34
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile
CID 115143215
6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile
CID 115143180
4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932034
[6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide
CID 115264512
2-methyl-6-[(1-phenylbenzimidazol-5-yl)amino]pyrimidine-4-carbonitrile
CID 154795798
2-chloro-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-4-carbonitrile
CID 83077583
1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclopropane-1-carbonitrile
CID 115242014
4-N-(1,3-benzodioxol-5-yl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80759901
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)benzonitrile
CID 43804098
2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile
CID 104712778
4-N-(5-chloro-2-methylphenyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine-4,6-diamine
CID 112878098
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile (CID 115143207) is 6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile is Cc1nc(C#N)cc(Nc2ccc3c(c2)CCO3)n1.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile?
The InChIKey is CWQLCAKZTAVILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-16-12(8-15)7-14(17-9)18-11-2-3-13-10(6-11)4-5-19-13/h2-3,6-7H,4-5H2,1H3,(H,16,17,18).
What are the key properties of 6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile?
6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile has a molecular weight of 252.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 115143207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).