6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine

C16H23N5 — CID 114557493

IUPAC6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
SMILESCCNc1cc(C2CCCC2)nc(-c2ccnn2CC)n1
InChIInChI=1S/C16H23N5/c1-3-17-15-11-13(12-7-5-6-8-12)19-16(20-15)14-9-10-18-21(14)4-2/h9-12H,3-8H2,1-2H3,(H,17,19,20)
InChIKeyBMRBPTAJDSUAJI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.45
Rot. Bonds5

About 6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine

6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 114557493) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID114557493
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
SMILESCCNc1cc(C2CCCC2)nc(-c2ccnn2CC)n1
InChIInChI=1S/C16H23N5/c1-3-17-15-11-13(12-7-5-6-8-12)19-16(20-15)14-9-10-18-21(14)4-2/h9-12H,3-8H2,1-2H3,(H,17,19,20)
InChIKeyBMRBPTAJDSUAJI-UHFFFAOYSA-N
XLogP3.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine (CID 114557493) is 6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine is CCNc1cc(C2CCCC2)nc(-c2ccnn2CC)n1.
What is the InChIKey of 6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is BMRBPTAJDSUAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-17-15-11-13(12-7-5-6-8-12)19-16(20-15)14-9-10-18-21(14)4-2/h9-12H,3-8H2,1-2H3,(H,17,19,20).
What are the key properties of 6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine?
6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114557493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).