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

C14H22BrN3 — CID 66300703

IUPAC5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C2CCCC2)nc(C(C)C)c1Br
InChIInChI=1S/C14H22BrN3/c1-4-16-14-11(15)12(9(2)3)17-13(18-14)10-7-5-6-8-10/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyIBDFITCICVACQW-UHFFFAOYSA-N
MW312.26 g/mol
LogP4.45
Rot. Bonds4

About 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300703) has the molecular formula C14H22BrN3 and a molecular weight of 312.26 g/mol. Its IUPAC name is 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300703
Molecular FormulaC14H22BrN3
Molecular Weight312.26 g/mol
Exact Mass311.10
IUPAC Name5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C2CCCC2)nc(C(C)C)c1Br
InChIInChI=1S/C14H22BrN3/c1-4-16-14-11(15)12(9(2)3)17-13(18-14)10-7-5-6-8-10/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyIBDFITCICVACQW-UHFFFAOYSA-N
XLogP4.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine (CID 66300703) is 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(C2CCCC2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is IBDFITCICVACQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-4-16-14-11(15)12(9(2)3)17-13(18-14)10-7-5-6-8-10/h9-10H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 312.26 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).