4-(1-benzylpyrrolidin-2-yl)pyrimidine

C15H17N3 — CID 175656203

IUPAC4-(1-benzylpyrrolidin-2-yl)pyrimidine
SMILESc1ccc(CN2CCCC2c2ccncn2)cc1
InChIInChI=1S/C15H17N3/c1-2-5-13(6-3-1)11-18-10-4-7-15(18)14-8-9-16-12-17-14/h1-3,5-6,8-9,12,15H,4,7,10-11H2
InChIKeyCVDRBUVNYNEAOE-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.81
Rot. Bonds3

About 4-(1-benzylpyrrolidin-2-yl)pyrimidine

4-(1-benzylpyrrolidin-2-yl)pyrimidine (PubChem CID 175656203) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(1-benzylpyrrolidin-2-yl)pyrimidine.

Molecular Properties

Compound Name4-(1-benzylpyrrolidin-2-yl)pyrimidine
PubChem CID175656203
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name4-(1-benzylpyrrolidin-2-yl)pyrimidine
SMILESc1ccc(CN2CCCC2c2ccncn2)cc1
InChIInChI=1S/C15H17N3/c1-2-5-13(6-3-1)11-18-10-4-7-15(18)14-8-9-16-12-17-14/h1-3,5-6,8-9,12,15H,4,7,10-11H2
InChIKeyCVDRBUVNYNEAOE-UHFFFAOYSA-N
XLogP2.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 110270807
4-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 95845165
2-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 124975597
6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline
CID 124986639
2-methyl-5-[[(2R)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 125026753
4-[(2S)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 124954065
4-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 124954066
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
4-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95817567
4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 110254306
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033
4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 127244796

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrrolidin-2-yl)pyrimidine?
The IUPAC name of 4-(1-benzylpyrrolidin-2-yl)pyrimidine (CID 175656203) is 4-(1-benzylpyrrolidin-2-yl)pyrimidine.
What is the SMILES notation for 4-(1-benzylpyrrolidin-2-yl)pyrimidine?
The canonical SMILES for 4-(1-benzylpyrrolidin-2-yl)pyrimidine is c1ccc(CN2CCCC2c2ccncn2)cc1.
What is the InChIKey of 4-(1-benzylpyrrolidin-2-yl)pyrimidine?
The InChIKey is CVDRBUVNYNEAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-5-13(6-3-1)11-18-10-4-7-15(18)14-8-9-16-12-17-14/h1-3,5-6,8-9,12,15H,4,7,10-11H2.
What are the key properties of 4-(1-benzylpyrrolidin-2-yl)pyrimidine?
4-(1-benzylpyrrolidin-2-yl)pyrimidine has a molecular weight of 239.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrrolidin-2-yl)pyrimidine is sourced from PubChem (CID 175656203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).