4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine

C12H17ClN2 — CID 112554769

IUPAC4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(C2CCCC2)n1
InChIInChI=1S/C12H17ClN2/c1-8(2)12-14-10(7-11(13)15-12)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3
InChIKeySGEYBPXKRPIIDO-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.91
Rot. Bonds2

About 4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine

4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine (PubChem CID 112554769) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine
PubChem CID112554769
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(C2CCCC2)n1
InChIInChI=1S/C12H17ClN2/c1-8(2)12-14-10(7-11(13)15-12)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3
InChIKeySGEYBPXKRPIIDO-UHFFFAOYSA-N
XLogP3.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-cyclopentyl-2-(1-methoxypropan-2-yl)pyrimidine
CID 116502401
6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine
CID 130056199
4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine
CID 113390255
7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80952013
6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953834
6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954067
2-tert-butyl-4-chloro-6-cyclopropylpyrimidine
CID 63355304
2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80951072
6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 106013954
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80951273
6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine
CID 102551445
4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine
CID 114937710

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine (CID 112554769) is 4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine is CC(C)c1nc(Cl)cc(C2CCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine?
The InChIKey is SGEYBPXKRPIIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8(2)12-14-10(7-11(13)15-12)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine?
4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine has a molecular weight of 224.73 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 112554769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).