2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine

C14H23N3 — CID 55045869

IUPAC2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(C(C)C)nc(C2CCCC2)n1
InChIInChI=1S/C14H23N3/c1-4-15-13-9-12(10(2)3)16-14(17-13)11-7-5-6-8-11/h9-11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyCNQYJXBIQLPBIP-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.69
Rot. Bonds4

About 2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine

2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 55045869) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID55045869
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(C(C)C)nc(C2CCCC2)n1
InChIInChI=1S/C14H23N3/c1-4-15-13-9-12(10(2)3)16-14(17-13)11-7-5-6-8-11/h9-11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyCNQYJXBIQLPBIP-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine (CID 55045869) is 2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine is CCNc1cc(C(C)C)nc(C2CCCC2)n1.
What is the InChIKey of 2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is CNQYJXBIQLPBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-15-13-9-12(10(2)3)16-14(17-13)11-7-5-6-8-11/h9-11H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 55045869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).