4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine

C16H24N6 — CID 166627844

IUPAC4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine
SMILESCc1cc(NC2CCC(N)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H24N6/c1-10-9-15(19-14-6-4-13(17)5-7-14)20-16(18-10)22-12(3)8-11(2)21-22/h8-9,13-14H,4-7,17H2,1-3H3,(H,18,19,20)
InChIKeyKNCSGEOLFXIXKO-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.27
Rot. Bonds3

About 4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine

4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine (PubChem CID 166627844) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine
PubChem CID166627844
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine
SMILESCc1cc(NC2CCC(N)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H24N6/c1-10-9-15(19-14-6-4-13(17)5-7-14)20-16(18-10)22-12(3)8-11(2)21-22/h8-9,13-14H,4-7,17H2,1-3H3,(H,18,19,20)
InChIKeyKNCSGEOLFXIXKO-UHFFFAOYSA-N
XLogP2.27
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine (CID 166627844) is 4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine is Cc1cc(NC2CCC(N)CC2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine?
The InChIKey is KNCSGEOLFXIXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-10-9-15(19-14-6-4-13(17)5-7-14)20-16(18-10)22-12(3)8-11(2)21-22/h8-9,13-14H,4-7,17H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine?
4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 166627844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).