4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine

C15H17N3 — CID 171989063

IUPAC4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(N2CCCC2)ncc1-c1ccccc1
InChIInChI=1S/C15H17N3/c1-12-14(13-7-3-2-4-8-13)11-16-15(17-12)18-9-5-6-10-18/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyGSKLBFAYUHLXTQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.05
Rot. Bonds2

About 4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine

4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 171989063) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine
PubChem CID171989063
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(N2CCCC2)ncc1-c1ccccc1
InChIInChI=1S/C15H17N3/c1-12-14(13-7-3-2-4-8-13)11-16-15(17-12)18-9-5-6-10-18/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyGSKLBFAYUHLXTQ-UHFFFAOYSA-N
XLogP3.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine
CID 103278594
2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504378
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
5-bromo-4-methyl-2-piperidin-1-ylpyrimidine
CID 82373594
1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole
CID 25251781
4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
4-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-4-methylpyrimidin-2-yl]piperidin-4-ol
CID 56693229
2-(azetidin-1-yl)-5-bromo-4-methylpyrimidine
CID 127017331
4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135649679
5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 8741392
(1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol
CID 103431371
N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine
CID 45237769

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine (CID 171989063) is 4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine is Cc1nc(N2CCCC2)ncc1-c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is GSKLBFAYUHLXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-12-14(13-7-3-2-4-8-13)11-16-15(17-12)18-9-5-6-10-18/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of 4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine?
4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 239.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 171989063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).