6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione

C19H22N4O4 — CID 126423893

IUPAC6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1-c1cccc(C(=O)N2CCNC(=O)[C@H]2C(C)C)c1
InChIInChI=1S/C19H22N4O4/c1-10(2)15-17(25)20-7-8-23(15)18(26)13-6-4-5-12(9-13)14-11(3)21-19(27)22-16(14)24/h4-6,9-10,15H,7-8H2,1-3H3,(H,20,25)(H2,21,22,24,27)/t15-/m1/s1
InChIKeyFUNZZMXGLFFNII-OAHLLOKOSA-N
MW370.41 g/mol
LogP0.64
Rot. Bonds3

About 6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione (PubChem CID 126423893) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione
PubChem CID126423893
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1-c1cccc(C(=O)N2CCNC(=O)[C@H]2C(C)C)c1
InChIInChI=1S/C19H22N4O4/c1-10(2)15-17(25)20-7-8-23(15)18(26)13-6-4-5-12(9-13)14-11(3)21-19(27)22-16(14)24/h4-6,9-10,15H,7-8H2,1-3H3,(H,20,25)(H2,21,22,24,27)/t15-/m1/s1
InChIKeyFUNZZMXGLFFNII-OAHLLOKOSA-N
XLogP0.64
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873351
3-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzonitrile
CID 110873324
methyl 3-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]benzoate
CID 95316463
cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 124834746
4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide
CID 166199318
6-methyl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione
CID 154859139
4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873327
2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
CID 95215815
4-[3-[2-(2-hydroxyethyl)-3-oxopiperazine-1-carbonyl]phenyl]-3-methylbenzonitrile
CID 118770180
3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one
CID 56716843
4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one
CID 118772464
(3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one
CID 97120229

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione (CID 126423893) is 6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1-c1cccc(C(=O)N2CCNC(=O)[C@H]2C(C)C)c1.
What is the InChIKey of 6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione?
The InChIKey is FUNZZMXGLFFNII-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-10(2)15-17(25)20-7-8-23(15)18(26)13-6-4-5-12(9-13)14-11(3)21-19(27)22-16(14)24/h4-6,9-10,15H,7-8H2,1-3H3,(H,20,25)(H2,21,22,24,27)/t15-/m1/s1.
What are the key properties of 6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione has a molecular weight of 370.41 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126423893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).