4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine

C20H30N6 — CID 166340199

IUPAC4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESNc1c(NC(CC2CCCC2)CC2CCCC2)ncnc1-n1cccn1
InChIInChI=1S/C20H30N6/c21-18-19(22-14-23-20(18)26-11-5-10-24-26)25-17(12-15-6-1-2-7-15)13-16-8-3-4-9-16/h5,10-11,14-17H,1-4,6-9,12-13,21H2,(H,22,23,25)
InChIKeyMLPPZIRNHOAOMV-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.19
Rot. Bonds7

About 4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine

4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine (PubChem CID 166340199) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
PubChem CID166340199
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESNc1c(NC(CC2CCCC2)CC2CCCC2)ncnc1-n1cccn1
InChIInChI=1S/C20H30N6/c21-18-19(22-14-23-20(18)26-11-5-10-24-26)25-17(12-15-6-1-2-7-15)13-16-8-3-4-9-16/h5,10-11,14-17H,1-4,6-9,12-13,21H2,(H,22,23,25)
InChIKeyMLPPZIRNHOAOMV-UHFFFAOYSA-N
XLogP4.19
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine (CID 166340199) is 4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine is Nc1c(NC(CC2CCCC2)CC2CCCC2)ncnc1-n1cccn1.
What is the InChIKey of 4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The InChIKey is MLPPZIRNHOAOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c21-18-19(22-14-23-20(18)26-11-5-10-24-26)25-17(12-15-6-1-2-7-15)13-16-8-3-4-9-16/h5,10-11,14-17H,1-4,6-9,12-13,21H2,(H,22,23,25).
What are the key properties of 4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine?
4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine has a molecular weight of 354.50 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 166340199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).