4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile

C15H11N5 — CID 114755552

IUPAC4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile
SMILESCc1cc(-c2ncc(C#N)c(N)n2)nc2ccccc12
InChIInChI=1S/C15H11N5/c1-9-6-13(19-12-5-3-2-4-11(9)12)15-18-8-10(7-16)14(17)20-15/h2-6,8H,1H3,(H2,17,18,20)
InChIKeyDVRFXANSZRGSPQ-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.45
Rot. Bonds1

About 4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile

4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile (PubChem CID 114755552) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile
PubChem CID114755552
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile
SMILESCc1cc(-c2ncc(C#N)c(N)n2)nc2ccccc12
InChIInChI=1S/C15H11N5/c1-9-6-13(19-12-5-3-2-4-11(9)12)15-18-8-10(7-16)14(17)20-15/h2-6,8H,1H3,(H2,17,18,20)
InChIKeyDVRFXANSZRGSPQ-UHFFFAOYSA-N
XLogP2.45
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylquinolin-2-yl)pyrimidin-4-amine
CID 114755416
(1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine
CID 103432065
4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile
CID 116865128
(1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol
CID 103431263
4-methyl-6-(4-methylquinolin-2-yl)-1,3,5-triazin-2-amine
CID 114755546
4-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carbonitrile
CID 116865137
4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
CID 116865160
4-(4-methylquinolin-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 114755549
4-methyl-2-(2,3,4,5-tetramethylphenyl)quinoline
CID 59348556
2-(4,6-dimethylpyrimidin-2-yl)quinazolin-4-amine
CID 10610759
1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine
CID 114755499
2-(4-methylquinolin-2-yl)-6-propylpyrimidin-4-amine
CID 114755413

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile (CID 114755552) is 4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile is Cc1cc(-c2ncc(C#N)c(N)n2)nc2ccccc12.
What is the InChIKey of 4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile?
The InChIKey is DVRFXANSZRGSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c1-9-6-13(19-12-5-3-2-4-11(9)12)15-18-8-10(7-16)14(17)20-15/h2-6,8H,1H3,(H2,17,18,20).
What are the key properties of 4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile?
4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile has a molecular weight of 261.29 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methylquinolin-2-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 114755552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).