2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C12H16ClN3 — CID 115561001

IUPAC2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCc1c(Cl)ncnc1N1CC2CCCC2C1
InChIInChI=1S/C12H16ClN3/c1-8-11(13)14-7-15-12(8)16-5-9-3-2-4-10(9)6-16/h7,9-10H,2-6H2,1H3
InChIKeyMYURNRWFYGMHBI-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.67
Rot. Bonds1

About 2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 115561001) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID115561001
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCc1c(Cl)ncnc1N1CC2CCCC2C1
InChIInChI=1S/C12H16ClN3/c1-8-11(13)14-7-15-12(8)16-5-9-3-2-4-10(9)6-16/h7,9-10H,2-6H2,1H3
InChIKeyMYURNRWFYGMHBI-UHFFFAOYSA-N
XLogP2.67
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine
CID 103536649
4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 102963245
[(4aS,7aS)-6-(6-chloro-5-methylpyrimidin-4-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-pyrimidin-5-ylmethanone
CID 167857495
4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103500926
4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline
CID 154757784
(3aR,6aR)-2-(6-chloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129380883
4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 63735916
2-(6-chloro-5-nitropyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 62101518
2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82691796
4-(6-chloro-5-methylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102891462
(3aS,6aR)-2-(4,5-dimethylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 146043207
2-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 63729947

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 115561001) is 2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is Cc1c(Cl)ncnc1N1CC2CCCC2C1.
What is the InChIKey of 2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is MYURNRWFYGMHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-8-11(13)14-7-15-12(8)16-5-9-3-2-4-10(9)6-16/h7,9-10H,2-6H2,1H3.
What are the key properties of 2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 237.73 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 115561001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).