(6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one

C25H30N4O2 — CID 71738915

IUPAC(6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one
SMILESCC(C)[C@]1(C)CC(=O)N(Cc2cccc(N3C[C@@H](c4ccccc4)CC3=O)c2)C(N)=N1
InChIInChI=1S/C25H30N4O2/c1-17(2)25(3)14-23(31)29(24(26)27-25)15-18-8-7-11-21(12-18)28-16-20(13-22(28)30)19-9-5-4-6-10-19/h4-12,17,20H,13-16H2,1-3H3,(H2,26,27)/t20-,25-/m0/s1
InChIKeyVBYHYTJHKFQNCE-CPJSRVTESA-N
MW418.54 g/mol
LogP3.67
Rot. Bonds5

About (6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one

(6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one (PubChem CID 71738915) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is (6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one
PubChem CID71738915
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name(6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one
SMILESCC(C)[C@]1(C)CC(=O)N(Cc2cccc(N3C[C@@H](c4ccccc4)CC3=O)c2)C(N)=N1
InChIInChI=1S/C25H30N4O2/c1-17(2)25(3)14-23(31)29(24(26)27-25)15-18-8-7-11-21(12-18)28-16-20(13-22(28)30)19-9-5-4-6-10-19/h4-12,17,20H,13-16H2,1-3H3,(H2,26,27)/t20-,25-/m0/s1
InChIKeyVBYHYTJHKFQNCE-CPJSRVTESA-N
XLogP3.67
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-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 (6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one (CID 71738915) is (6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one is CC(C)[C@]1(C)CC(=O)N(Cc2cccc(N3C[C@@H](c4ccccc4)CC3=O)c2)C(N)=N1.
What is the InChIKey of (6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one?
The InChIKey is VBYHYTJHKFQNCE-CPJSRVTESA-N. The full InChI is InChI=1S/C25H30N4O2/c1-17(2)25(3)14-23(31)29(24(26)27-25)15-18-8-7-11-21(12-18)28-16-20(13-22(28)30)19-9-5-4-6-10-19/h4-12,17,20H,13-16H2,1-3H3,(H2,26,27)/t20-,25-/m0/s1.
What are the key properties of (6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one?
(6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one has a molecular weight of 418.54 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-methyl-3-[[3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one is sourced from PubChem (CID 71738915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).