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

C14H19N5 — CID 163343857

IUPACN-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine
SMILESCN(c1cc(-n2cccn2)ncn1)C1CCCCC1
InChIInChI=1S/C14H19N5/c1-18(12-6-3-2-4-7-12)13-10-14(16-11-15-13)19-9-5-8-17-19/h5,8-12H,2-4,6-7H2,1H3
InChIKeySUMITSCXPHQDRM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.43
Rot. Bonds3

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

N-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 163343857) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine
PubChem CID163343857
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine
SMILESCN(c1cc(-n2cccn2)ncn1)C1CCCCC1
InChIInChI=1S/C14H19N5/c1-18(12-6-3-2-4-7-12)13-10-14(16-11-15-13)19-9-5-8-17-19/h5,8-12H,2-4,6-7H2,1H3
InChIKeySUMITSCXPHQDRM-UHFFFAOYSA-N
XLogP2.43
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine (CID 163343857) is N-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine is CN(c1cc(-n2cccn2)ncn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is SUMITSCXPHQDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-18(12-6-3-2-4-7-12)13-10-14(16-11-15-13)19-9-5-8-17-19/h5,8-12H,2-4,6-7H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine?
N-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 163343857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).