4-chloro-2-(cyclopentylmethyl)pyrimidine

C10H13ClN2 — CID 130646601

IUPAC4-chloro-2-(cyclopentylmethyl)pyrimidine
SMILESClc1ccnc(CC2CCCC2)n1
InChIInChI=1S/C10H13ClN2/c11-9-5-6-12-10(13-9)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKeyDHNPBVYPBMSTBU-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.86
Rot. Bonds2

About 4-chloro-2-(cyclopentylmethyl)pyrimidine

4-chloro-2-(cyclopentylmethyl)pyrimidine (PubChem CID 130646601) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 4-chloro-2-(cyclopentylmethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(cyclopentylmethyl)pyrimidine
PubChem CID130646601
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name4-chloro-2-(cyclopentylmethyl)pyrimidine
SMILESClc1ccnc(CC2CCCC2)n1
InChIInChI=1S/C10H13ClN2/c11-9-5-6-12-10(13-9)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKeyDHNPBVYPBMSTBU-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethyl)pyrimidin-4-amine
CID 70097820
2-(cyclopentylmethyl)pyrimidine-4-carbaldehyde
CID 126991748
4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine
CID 65139777
[2-(cyclobutylmethyl)pyrimidin-4-yl]hydrazine
CID 126979837
4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine
CID 115414497
7-chloro-4-(cyclohexylmethyl)quinoline
CID 122374976
4-(4-chloropyrimidin-2-yl)butan-1-amine
CID 157220719
4-[(4-ethylpyrimidin-2-yl)methyl]azepane
CID 84685078
3-[(4-ethylpyrimidin-2-yl)methyl]azepane
CID 84685076
4-chloro-N-cyclohexylpyrimidin-2-amine
CID 87190061
4-chloro-2-(methoxymethyl)pyrimidine
CID 14306130
1-(4-chloropyrimidin-2-yl)-N-methylmethanamine
CID 125130391

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopentylmethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(cyclopentylmethyl)pyrimidine (CID 130646601) is 4-chloro-2-(cyclopentylmethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(cyclopentylmethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(cyclopentylmethyl)pyrimidine is Clc1ccnc(CC2CCCC2)n1.
What is the InChIKey of 4-chloro-2-(cyclopentylmethyl)pyrimidine?
The InChIKey is DHNPBVYPBMSTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-9-5-6-12-10(13-9)7-8-3-1-2-4-8/h5-6,8H,1-4,7H2.
What are the key properties of 4-chloro-2-(cyclopentylmethyl)pyrimidine?
4-chloro-2-(cyclopentylmethyl)pyrimidine has a molecular weight of 196.68 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopentylmethyl)pyrimidine is sourced from PubChem (CID 130646601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).