4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile

C14H11N5 — CID 116865128

IUPAC4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile
SMILESCn1cc(-c2ncc(C#N)c(N)n2)c2ccccc21
InChIInChI=1S/C14H11N5/c1-19-8-11(10-4-2-3-5-12(10)19)14-17-7-9(6-15)13(16)18-14/h2-5,7-8H,1H3,(H2,16,17,18)
InChIKeySMHRNFUTNYZPJO-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.09
Rot. Bonds1

About 4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile

4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile (PubChem CID 116865128) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile
PubChem CID116865128
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile
SMILESCn1cc(-c2ncc(C#N)c(N)n2)c2ccccc21
InChIInChI=1S/C14H11N5/c1-19-8-11(10-4-2-3-5-12(10)19)14-17-7-9(6-15)13(16)18-14/h2-5,7-8H,1H3,(H2,16,17,18)
InChIKeySMHRNFUTNYZPJO-UHFFFAOYSA-N
XLogP2.09
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylindol-3-yl)pyridine-3-carbonitrile
CID 11218536
1-methyl-3-(4-methylpyrimidin-2-yl)indole
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5-hydroxy-2-(1-methylindol-3-yl)pyridine-4-carbonitrile
CID 116864596
4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine
CID 15211774
4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile
CID 114755552
1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole
CID 147456489
2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile
CID 82476649
5-(1-methylindol-3-yl)-1,3-oxazol-2-amine
CID 82284357
2-(1-methylindol-3-yl)aniline
CID 138983733
4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
CID 116865160
4-amino-2-(5-chloro-2-fluorophenyl)pyrimidine-5-carbonitrile
CID 116865141
4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile
CID 116865150

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile (CID 116865128) is 4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile is Cn1cc(-c2ncc(C#N)c(N)n2)c2ccccc21.
What is the InChIKey of 4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile?
The InChIKey is SMHRNFUTNYZPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-19-8-11(10-4-2-3-5-12(10)19)14-17-7-9(6-15)13(16)18-14/h2-5,7-8H,1H3,(H2,16,17,18).
What are the key properties of 4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile?
4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 116865128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).