5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine

C9H11BrClN3 — CID 117260459

IUPAC5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine
SMILESNc1nc(Cl)c(Br)c(C2CCCC2)n1
InChIInChI=1S/C9H11BrClN3/c10-6-7(5-3-1-2-4-5)13-9(12)14-8(6)11/h5H,1-4H2,(H2,12,13,14)
InChIKeyYQPHFDBYEGUAIU-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.13
Rot. Bonds1

About 5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine

5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine (PubChem CID 117260459) has the molecular formula C9H11BrClN3 and a molecular weight of 276.56 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine
PubChem CID117260459
Molecular FormulaC9H11BrClN3
Molecular Weight276.56 g/mol
Exact Mass274.98
IUPAC Name5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine
SMILESNc1nc(Cl)c(Br)c(C2CCCC2)n1
InChIInChI=1S/C9H11BrClN3/c10-6-7(5-3-1-2-4-5)13-9(12)14-8(6)11/h5H,1-4H2,(H2,12,13,14)
InChIKeyYQPHFDBYEGUAIU-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol
CID 136730068
5-bromo-4,6-dichloro-2-cyclohexylpyrimidine
CID 66317033
5-bromo-4,6-dichloro-2-cyclooctylpyrimidine
CID 80602161
5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine
CID 113390303
6-cyclopentyl-5-fluoropyrimidine-2,4-diamine
CID 67519663
5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine
CID 66293927
5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine
CID 103570166
5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine
CID 66292054
4-cyclopentylpyrimidine-2,5-diamine
CID 82409896
4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine
CID 83241557
4-bromo-3-cyclopentyl-1,2-oxazol-5-amine
CID 83911607
5-bromo-4-cyclopentyl-2-(thian-2-yl)-1H-pyrimidin-6-one
CID 136729636

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine (CID 117260459) is 5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine is Nc1nc(Cl)c(Br)c(C2CCCC2)n1.
What is the InChIKey of 5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine?
The InChIKey is YQPHFDBYEGUAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3/c10-6-7(5-3-1-2-4-5)13-9(12)14-8(6)11/h5H,1-4H2,(H2,12,13,14).
What are the key properties of 5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine?
5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine has a molecular weight of 276.56 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 117260459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).