4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine

C19H25N3O — CID 118723353

IUPAC4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
SMILESCc1nc(-c2ccccc2)nc(OCCCN2CCCC2)c1C
InChIInChI=1S/C19H25N3O/c1-15-16(2)20-18(17-9-4-3-5-10-17)21-19(15)23-14-8-13-22-11-6-7-12-22/h3-5,9-10H,6-8,11-14H2,1-2H3
InChIKeyQWVSGHDMQAOXCU-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.63
Rot. Bonds6

About 4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine

4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine (PubChem CID 118723353) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
PubChem CID118723353
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
SMILESCc1nc(-c2ccccc2)nc(OCCCN2CCCC2)c1C
InChIInChI=1S/C19H25N3O/c1-15-16(2)20-18(17-9-4-3-5-10-17)21-19(15)23-14-8-13-22-11-6-7-12-22/h3-5,9-10H,6-8,11-14H2,1-2H3
InChIKeyQWVSGHDMQAOXCU-UHFFFAOYSA-N
XLogP3.63
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Enecadin
CID 6433114
4-(4-Fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy)pyrimidine hydrochloride
CID 9800750
5-Chloro-2-(3,4-difluorophenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 118723364
2,4-Diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723352
6-(methoxymethyl)-2-phenyl-4-pyrimidinyl N,N-dimethylcarbamate
CID 2730251
4-Methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 21760780
2-benzyl-4-methoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 59312310
4-Ethoxy-2,6-diphenylpyrimidine-5-carbonitrile
CID 85988183
5-Chloro-2-(4-chlorophenyl)-4-methyl-6-(3-(piperidin-1-yl)propoxy)pyrimidine
CID 101910737
4-Methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine
CID 118722990
4-[3-(3,5-Dimethylpiperidin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine
CID 118722991
4-Methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine
CID 118722992

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
The IUPAC name of 4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine (CID 118723353) is 4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine.
What is the SMILES notation for 4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
The canonical SMILES for 4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine is Cc1nc(-c2ccccc2)nc(OCCCN2CCCC2)c1C.
What is the InChIKey of 4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
The InChIKey is QWVSGHDMQAOXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-16(2)20-18(17-9-4-3-5-10-17)21-19(15)23-14-8-13-22-11-6-7-12-22/h3-5,9-10H,6-8,11-14H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine has a molecular weight of 311.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine is sourced from PubChem (CID 118723353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).