4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one

C20H26N4O2 — CID 95194210

IUPAC4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)nc(=O)[nH]1
InChIInChI=1S/C20H26N4O2/c1-14(2)11-16-12-17(22-20(26)21-16)19(25)24-10-9-23(3)18(13-24)15-7-5-4-6-8-15/h4-8,12,14,18H,9-11,13H2,1-3H3,(H,21,22,26)/t18-/m0/s1
InChIKeyNUEARRGULJPIFB-SFHVURJKSA-N
MW354.45 g/mol
LogP2.10
Rot. Bonds4

About 4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one

4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one (PubChem CID 95194210) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
PubChem CID95194210
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)nc(=O)[nH]1
InChIInChI=1S/C20H26N4O2/c1-14(2)11-16-12-17(22-20(26)21-16)19(25)24-10-9-23(3)18(13-24)15-7-5-4-6-8-15/h4-8,12,14,18H,9-11,13H2,1-3H3,(H,21,22,26)/t18-/m0/s1
InChIKeyNUEARRGULJPIFB-SFHVURJKSA-N
XLogP2.10
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one
CID 131945130
6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one
CID 99950657
4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 91794983
4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 77088383
3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
CID 56880850
1-[(3R,4S)-4-hydroxy-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134698814
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453
7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645098
4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 91838642
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 124958848
4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 99932538
2-[(3S)-4-methyl-3-phenylpiperazine-1-carbonyl]benzonitrile
CID 99994815

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one (CID 95194210) is 4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one is CC(C)Cc1cc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)nc(=O)[nH]1.
What is the InChIKey of 4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The InChIKey is NUEARRGULJPIFB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14(2)11-16-12-17(22-20(26)21-16)19(25)24-10-9-23(3)18(13-24)15-7-5-4-6-8-15/h4-8,12,14,18H,9-11,13H2,1-3H3,(H,21,22,26)/t18-/m0/s1.
What are the key properties of 4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-4-methyl-3-phenylpiperazine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 95194210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).