4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile

C8H10ClN5 — CID 20510226

IUPAC4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile
SMILESCC(C)Nc1nc(N)c(C#N)c(Cl)n1
InChIInChI=1S/C8H10ClN5/c1-4(2)12-8-13-6(9)5(3-10)7(11)14-8/h4H,1-2H3,(H3,11,12,13,14)
InChIKeyZGIOBPVLKOKYOK-UHFFFAOYSA-N
MW211.66 g/mol
LogP1.40
Rot. Bonds2

About 4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile

4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile (PubChem CID 20510226) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is 4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile
PubChem CID20510226
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile
SMILESCC(C)Nc1nc(N)c(C#N)c(Cl)n1
InChIInChI=1S/C8H10ClN5/c1-4(2)12-8-13-6(9)5(3-10)7(11)14-8/h4H,1-2H3,(H3,11,12,13,14)
InChIKeyZGIOBPVLKOKYOK-UHFFFAOYSA-N
XLogP1.40
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile (CID 20510226) is 4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile is CC(C)Nc1nc(N)c(C#N)c(Cl)n1.
What is the InChIKey of 4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile?
The InChIKey is ZGIOBPVLKOKYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5/c1-4(2)12-8-13-6(9)5(3-10)7(11)14-8/h4H,1-2H3,(H3,11,12,13,14).
What are the key properties of 4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile?
4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile has a molecular weight of 211.66 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 20510226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).