4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one

C17H22N4O — CID 137210266

IUPAC4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCNC2CCN(c3ccccc3)C2)n1
InChIInChI=1S/C17H22N4O/c1-13-11-17(22)20-16(19-13)7-9-18-14-8-10-21(12-14)15-5-3-2-4-6-15/h2-6,11,14,18H,7-10,12H2,1H3,(H,19,20,22)
InChIKeyRAZACIMDTXJAAC-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.49
Rot. Bonds5

About 4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one

4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one (PubChem CID 137210266) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one
PubChem CID137210266
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCNC2CCN(c3ccccc3)C2)n1
InChIInChI=1S/C17H22N4O/c1-13-11-17(22)20-16(19-13)7-9-18-14-8-10-21(12-14)15-5-3-2-4-6-15/h2-6,11,14,18H,7-10,12H2,1H3,(H,19,20,22)
InChIKeyRAZACIMDTXJAAC-UHFFFAOYSA-N
XLogP1.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one (CID 137210266) is 4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(CCNC2CCN(c3ccccc3)C2)n1.
What is the InChIKey of 4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one?
The InChIKey is RAZACIMDTXJAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-11-17(22)20-16(19-13)7-9-18-14-8-10-21(12-14)15-5-3-2-4-6-15/h2-6,11,14,18H,7-10,12H2,1H3,(H,19,20,22).
What are the key properties of 4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one?
4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one has a molecular weight of 298.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137210266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).