4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile

C10H9ClN6 — CID 90336441

IUPAC4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile
SMILESCn1cc(CNc2cc(Cl)nc(C#N)n2)cn1
InChIInChI=1S/C10H9ClN6/c1-17-6-7(5-14-17)4-13-9-2-8(11)15-10(3-12)16-9/h2,5-6H,4H2,1H3,(H,13,15,16)
InChIKeyQWXJHXVHSXQYRJ-UHFFFAOYSA-N
MW248.68 g/mol
LogP1.35
Rot. Bonds3

About 4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile

4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile (PubChem CID 90336441) has the molecular formula C10H9ClN6 and a molecular weight of 248.68 g/mol. Its IUPAC name is 4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile
PubChem CID90336441
Molecular FormulaC10H9ClN6
Molecular Weight248.68 g/mol
Exact Mass248.06
IUPAC Name4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile
SMILESCn1cc(CNc2cc(Cl)nc(C#N)n2)cn1
InChIInChI=1S/C10H9ClN6/c1-17-6-7(5-14-17)4-13-9-2-8(11)15-10(3-12)16-9/h2,5-6H,4H2,1H3,(H,13,15,16)
InChIKeyQWXJHXVHSXQYRJ-UHFFFAOYSA-N
XLogP1.35
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-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-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile?
The IUPAC name of 4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile (CID 90336441) is 4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile?
The canonical SMILES for 4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile is Cn1cc(CNc2cc(Cl)nc(C#N)n2)cn1.
What is the InChIKey of 4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile?
The InChIKey is QWXJHXVHSXQYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6/c1-17-6-7(5-14-17)4-13-9-2-8(11)15-10(3-12)16-9/h2,5-6H,4H2,1H3,(H,13,15,16).
What are the key properties of 4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile?
4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile has a molecular weight of 248.68 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carbonitrile is sourced from PubChem (CID 90336441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).