5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

C14H22N4O3 — CID 99949676

IUPAC5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC[C@@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CCN1C(C)C
InChIInChI=1S/C14H22N4O3/c1-4-10-8-17(5-6-18(10)9(2)3)13(20)11-7-15-14(21)16-12(11)19/h7,9-10H,4-6,8H2,1-3H3,(H2,15,16,19,21)/t10-/m1/s1
InChIKeyBRSMVTUDFXFEDB-SNVBAGLBSA-N
MW294.36 g/mol
LogP0.01
Rot. Bonds3

About 5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 99949676) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID99949676
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC[C@@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CCN1C(C)C
InChIInChI=1S/C14H22N4O3/c1-4-10-8-17(5-6-18(10)9(2)3)13(20)11-7-15-14(21)16-12(11)19/h7,9-10H,4-6,8H2,1-3H3,(H2,15,16,19,21)/t10-/m1/s1
InChIKeyBRSMVTUDFXFEDB-SNVBAGLBSA-N
XLogP0.01
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

(2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 97142002
[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 97204545
5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 103575831
5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 114799275
ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 115535610
2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide
CID 126434276
(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 72911490
1-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 156511039
2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid
CID 79615225
[3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 70762011
[3-(dimethylamino)phenyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 96578559
[6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 28954600

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 99949676) is 5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is CC[C@@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CCN1C(C)C.
What is the InChIKey of 5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is BRSMVTUDFXFEDB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-10-8-17(5-6-18(10)9(2)3)13(20)11-7-15-14(21)16-12(11)19/h7,9-10H,4-6,8H2,1-3H3,(H2,15,16,19,21)/t10-/m1/s1.
What are the key properties of 5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 294.36 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 99949676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).