4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile

C12H11N5 — CID 2816482

IUPAC4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile
SMILESCc1ccccc1Nc1ncc(C#N)c(N)n1
InChIInChI=1S/C12H11N5/c1-8-4-2-3-5-10(8)16-12-15-7-9(6-13)11(14)17-12/h2-5,7H,1H3,(H3,14,15,16,17)
InChIKeyCOKBKFSTDQZKEH-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.98
Rot. Bonds2

About 4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile

4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile (PubChem CID 2816482) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile
PubChem CID2816482
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile
SMILESCc1ccccc1Nc1ncc(C#N)c(N)n1
InChIInChI=1S/C12H11N5/c1-8-4-2-3-5-10(8)16-12-15-7-9(6-13)11(14)17-12/h2-5,7H,1H3,(H3,14,15,16,17)
InChIKeyCOKBKFSTDQZKEH-UHFFFAOYSA-N
XLogP1.98
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile (CID 2816482) is 4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile is Cc1ccccc1Nc1ncc(C#N)c(N)n1.
What is the InChIKey of 4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile?
The InChIKey is COKBKFSTDQZKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-8-4-2-3-5-10(8)16-12-15-7-9(6-13)11(14)17-12/h2-5,7H,1H3,(H3,14,15,16,17).
What are the key properties of 4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile?
4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methylanilino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 2816482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).