4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine

C15H17N3 — CID 123600076

IUPAC4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine
SMILESCN1CCCC1c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C15H17N3/c1-18-9-5-8-15(18)14-10-13(16-11-17-14)12-6-3-2-4-7-12/h2-4,6-7,10-11,15H,5,8-9H2,1H3
InChIKeyFWOFQSKEPGLTNB-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.91
Rot. Bonds2

About 4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine

4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine (PubChem CID 123600076) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine
PubChem CID123600076
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine
SMILESCN1CCCC1c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C15H17N3/c1-18-9-5-8-15(18)14-10-13(16-11-17-14)12-6-3-2-4-7-12/h2-4,6-7,10-11,15H,5,8-9H2,1H3
InChIKeyFWOFQSKEPGLTNB-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(6-phenylpyrimidin-4-yl)pyrrolidine-1-carboxylate
CID 118426415
4,6-diphenylpyrimidine;iridium(3+)
CID 160559843
3-(1-methylpyrrolidin-2-yl)-5-phenylpyridine
CID 19694355
4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid
CID 124987095
2-bromo-6-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 124641952
6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile
CID 115017325
4-(1-methylpyrrolidin-2-yl)-1,3-thiazole
CID 143153913
5-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 97304838
2-(1-methylpyrrolidin-2-yl)pyrimidine
CID 89060530
4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole
CID 21365788
3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide
CID 95813262
1-methyl-2-phenylazepane
CID 23447707

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine?
The IUPAC name of 4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine (CID 123600076) is 4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine.
What is the SMILES notation for 4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine?
The canonical SMILES for 4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine is CN1CCCC1c1cc(-c2ccccc2)ncn1.
What is the InChIKey of 4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine?
The InChIKey is FWOFQSKEPGLTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-18-9-5-8-15(18)14-10-13(16-11-17-14)12-6-3-2-4-7-12/h2-4,6-7,10-11,15H,5,8-9H2,1H3.
What are the key properties of 4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine?
4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine has a molecular weight of 239.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine is sourced from PubChem (CID 123600076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).