(4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

C21H24N4O3 — CID 97144373

IUPAC(4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(C(=O)c3cnc[nH]c3=O)CC2)C[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C21H24N4O3/c1-24-13-21(11-16(19(24)27)15-5-3-2-4-6-15)7-9-25(10-8-21)20(28)17-12-22-14-23-18(17)26/h2-6,12,14,16H,7-11,13H2,1H3,(H,22,23,26)/t16-/m0/s1
InChIKeyNSQCBYPBRVDAJK-INIZCTEOSA-N
MW380.45 g/mol
LogP1.64
Rot. Bonds2

About (4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

(4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97144373) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97144373
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(C(=O)c3cnc[nH]c3=O)CC2)C[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C21H24N4O3/c1-24-13-21(11-16(19(24)27)15-5-3-2-4-6-15)7-9-25(10-8-21)20(28)17-12-22-14-23-18(17)26/h2-6,12,14,16H,7-11,13H2,1H3,(H,22,23,26)/t16-/m0/s1
InChIKeyNSQCBYPBRVDAJK-INIZCTEOSA-N
XLogP1.64
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-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 (4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 97144373) is (4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCN(C(=O)c3cnc[nH]c3=O)CC2)C[C@@H](c2ccccc2)C1=O.
What is the InChIKey of (4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is NSQCBYPBRVDAJK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-24-13-21(11-16(19(24)27)15-5-3-2-4-6-15)7-9-25(10-8-21)20(28)17-12-22-14-23-18(17)26/h2-6,12,14,16H,7-11,13H2,1H3,(H,22,23,26)/t16-/m0/s1.
What are the key properties of (4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
(4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 380.45 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-9-(6-oxo-1H-pyrimidine-5-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97144373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).