4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine

C15H23N3 — CID 63319069

IUPAC4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine
SMILESCc1cc(C2CCCCC2)nc(C2CCCN2)n1
InChIInChI=1S/C15H23N3/c1-11-10-14(12-6-3-2-4-7-12)18-15(17-11)13-8-5-9-16-13/h10,12-13,16H,2-9H2,1H3
InChIKeyYPPSUQCYDJRDHY-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.26
Rot. Bonds2

About 4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine

4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine (PubChem CID 63319069) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine
PubChem CID63319069
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine
SMILESCc1cc(C2CCCCC2)nc(C2CCCN2)n1
InChIInChI=1S/C15H23N3/c1-11-10-14(12-6-3-2-4-7-12)18-15(17-11)13-8-5-9-16-13/h10,12-13,16H,2-9H2,1H3
InChIKeyYPPSUQCYDJRDHY-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-6-methyl-2-piperidin-3-ylpyrimidine
CID 55203946
4-cyclopropyl-2-piperidin-2-yl-6-propan-2-ylpyrimidine
CID 63319142
4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116893348
4-methyl-6-(2-methylpyrazol-3-yl)-2-[(2R)-pyrrolidin-2-yl]pyrimidine
CID 124641631
5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole
CID 110100411
4-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 83858445
3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine
CID 116893656
4-methyl-2-[(2R)-piperidin-2-yl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124964353
4-methyl-6-(2-methylpropyl)-2-piperidin-2-ylpyrimidine
CID 116893407
6-methyl-2-piperidin-2-yl-N-pyrazin-2-ylpyrimidin-4-amine
CID 175660444
4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine
CID 124938852
4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride
CID 155895891

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine?
The IUPAC name of 4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine (CID 63319069) is 4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine.
What is the SMILES notation for 4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine?
The canonical SMILES for 4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine is Cc1cc(C2CCCCC2)nc(C2CCCN2)n1.
What is the InChIKey of 4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine?
The InChIKey is YPPSUQCYDJRDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11-10-14(12-6-3-2-4-7-12)18-15(17-11)13-8-5-9-16-13/h10,12-13,16H,2-9H2,1H3.
What are the key properties of 4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine?
4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine has a molecular weight of 245.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine is sourced from PubChem (CID 63319069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).