5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine

C13H17ClN6 — CID 119035673

IUPAC5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(NC2CCCCC2n2cccn2)c1Cl
InChIInChI=1S/C13H17ClN6/c14-11-12(15)16-8-17-13(11)19-9-4-1-2-5-10(9)20-7-3-6-18-20/h3,6-10H,1-2,4-5H2,(H3,15,16,17,19)
InChIKeyDRAZLDIVKQBZDY-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.50
Rot. Bonds3

About 5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine

5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine (PubChem CID 119035673) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine
PubChem CID119035673
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(NC2CCCCC2n2cccn2)c1Cl
InChIInChI=1S/C13H17ClN6/c14-11-12(15)16-8-17-13(11)19-9-4-1-2-5-10(9)20-7-3-6-18-20/h3,6-10H,1-2,4-5H2,(H3,15,16,17,19)
InChIKeyDRAZLDIVKQBZDY-UHFFFAOYSA-N
XLogP2.50
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine (CID 119035673) is 5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine is Nc1ncnc(NC2CCCCC2n2cccn2)c1Cl.
What is the InChIKey of 5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine?
The InChIKey is DRAZLDIVKQBZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c14-11-12(15)16-8-17-13(11)19-9-4-1-2-5-10(9)20-7-3-6-18-20/h3,6-10H,1-2,4-5H2,(H3,15,16,17,19).
What are the key properties of 5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine?
5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine has a molecular weight of 292.77 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-pyrazol-1-ylcyclohexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 119035673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).