1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile

C10H11N3 — CID 116895934

IUPAC1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile
SMILESCc1cc(C)nc(C2(C#N)CC2)n1
InChIInChI=1S/C10H11N3/c1-7-5-8(2)13-9(12-7)10(6-11)3-4-10/h5H,3-4H2,1-2H3
InChIKeyDPCGIOSWXWAXHM-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.65
Rot. Bonds1

About 1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile

1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile (PubChem CID 116895934) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile
PubChem CID116895934
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile
SMILESCc1cc(C)nc(C2(C#N)CC2)n1
InChIInChI=1S/C10H11N3/c1-7-5-8(2)13-9(12-7)10(6-11)3-4-10/h5H,3-4H2,1-2H3
InChIKeyDPCGIOSWXWAXHM-UHFFFAOYSA-N
XLogP1.65
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-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 1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile (CID 116895934) is 1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile is Cc1cc(C)nc(C2(C#N)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile?
The InChIKey is DPCGIOSWXWAXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-7-5-8(2)13-9(12-7)10(6-11)3-4-10/h5H,3-4H2,1-2H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile?
1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116895934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).