N-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine

C13H17N5 — CID 5338876

IUPACN-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine
SMILESc1cnn(-c2cc(NC3CCCCC3)ncn2)c1
InChIInChI=1S/C13H17N5/c1-2-5-11(6-3-1)17-12-9-13(15-10-14-12)18-8-4-7-16-18/h4,7-11H,1-3,5-6H2,(H,14,15,17)
InChIKeyNJEJHOSZMIZICW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.41
Rot. Bonds3

About N-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine

N-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 5338876) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine
PubChem CID5338876
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine
SMILESc1cnn(-c2cc(NC3CCCCC3)ncn2)c1
InChIInChI=1S/C13H17N5/c1-2-5-11(6-3-1)17-12-9-13(15-10-14-12)18-8-4-7-16-18/h4,7-11H,1-3,5-6H2,(H,14,15,17)
InChIKeyNJEJHOSZMIZICW-UHFFFAOYSA-N
XLogP2.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine (CID 5338876) is N-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine is c1cnn(-c2cc(NC3CCCCC3)ncn2)c1.
What is the InChIKey of N-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is NJEJHOSZMIZICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-5-11(6-3-1)17-12-9-13(15-10-14-12)18-8-4-7-16-18/h4,7-11H,1-3,5-6H2,(H,14,15,17).
What are the key properties of N-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine?
N-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 5338876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).