5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine

C16H19N3 — CID 133404090

IUPAC5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine
SMILESCc1cnc(N2CCC(c3ccccc3)C2C)nc1
InChIInChI=1S/C16H19N3/c1-12-10-17-16(18-11-12)19-9-8-15(13(19)2)14-6-4-3-5-7-14/h3-7,10-11,13,15H,8-9H2,1-2H3
InChIKeyWQJTZEPCQZYCMN-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.17
Rot. Bonds2

About 5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine

5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine (PubChem CID 133404090) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine
PubChem CID133404090
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine
SMILESCc1cnc(N2CCC(c3ccccc3)C2C)nc1
InChIInChI=1S/C16H19N3/c1-12-10-17-16(18-11-12)19-9-8-15(13(19)2)14-6-4-3-5-7-14/h3-7,10-11,13,15H,8-9H2,1-2H3
InChIKeyWQJTZEPCQZYCMN-UHFFFAOYSA-N
XLogP3.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,7aR)-1-(5-methylpyrimidin-2-yl)-4-phenyl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 124912770
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
4-(4-methylphenyl)-1-oxido-3-phenylpiperidine
CID 88650309
3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one
CID 155953692
2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid
CID 119150831
(2R,3R)-1,2-dimethyl-3-phenylpiperidine
CID 97355864
(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methanamine
CID 116517865
ethane;5-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)pyrimidine
CID 90718908
(3aS,7aS)-1-(5-methylpyrimidin-2-yl)-4-phenyl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one;2,2,2-trifluoroacetic acid
CID 127024051
(6R)-1,2,6-trimethyl-3-phenylpiperidine
CID 163219493
1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 118738925
5-methyl-2-(2-phenylpyrrolidin-1-yl)pyridin-3-amine
CID 66279518

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine (CID 133404090) is 5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine is Cc1cnc(N2CCC(c3ccccc3)C2C)nc1.
What is the InChIKey of 5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine?
The InChIKey is WQJTZEPCQZYCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-12-10-17-16(18-11-12)19-9-8-15(13(19)2)14-6-4-3-5-7-14/h3-7,10-11,13,15H,8-9H2,1-2H3.
What are the key properties of 5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine?
5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine has a molecular weight of 253.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 133404090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).