2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

C16H22N6 — CID 70689607

IUPAC2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2cc(C3CC3)[nH]n2)nc(NC2CCCCC2)n1
InChIInChI=1S/C16H22N6/c1-2-4-12(5-3-1)18-16-17-9-8-14(20-16)19-15-10-13(21-22-15)11-6-7-11/h8-12H,1-7H2,(H3,17,18,19,20,21,22)
InChIKeyQISLXMFBZJOAMQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.57
Rot. Bonds5

About 2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 70689607) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID70689607
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2cc(C3CC3)[nH]n2)nc(NC2CCCCC2)n1
InChIInChI=1S/C16H22N6/c1-2-4-12(5-3-1)18-16-17-9-8-14(20-16)19-15-10-13(21-22-15)11-6-7-11/h8-12H,1-7H2,(H3,17,18,19,20,21,22)
InChIKeyQISLXMFBZJOAMQ-UHFFFAOYSA-N
XLogP3.57
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 70689607) is 2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is c1cc(Nc2cc(C3CC3)[nH]n2)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is QISLXMFBZJOAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-2-4-12(5-3-1)18-16-17-9-8-14(20-16)19-15-10-13(21-22-15)11-6-7-11/h8-12H,1-7H2,(H3,17,18,19,20,21,22).
What are the key properties of 2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 298.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 70689607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).