5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one

C17H27N5O2 — CID 136761455

IUPAC5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(CC(=O)N3CCCC3)CC2)[nH]c1=O
InChIInChI=1S/C17H27N5O2/c1-3-14-13(2)18-17(19-16(14)24)22-10-8-20(9-11-22)12-15(23)21-6-4-5-7-21/h3-12H2,1-2H3,(H,18,19,24)
InChIKeyMVLDTEXSVNALJU-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.39
Rot. Bonds4

About 5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one

5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136761455) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136761455
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(CC(=O)N3CCCC3)CC2)[nH]c1=O
InChIInChI=1S/C17H27N5O2/c1-3-14-13(2)18-17(19-16(14)24)22-10-8-20(9-11-22)12-15(23)21-6-4-5-7-21/h3-12H2,1-2H3,(H,18,19,24)
InChIKeyMVLDTEXSVNALJU-UHFFFAOYSA-N
XLogP0.39
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

"N-methyl-2-(4-methylpiperazino)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxamide"
CID 136665474
N-cyclohexyl-N-methyl-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 136143906
2-(dimethylamino)-7-D-prolyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136164906
Imidazo(1,2-a)pyrimidin-5(1H)-one, 6-ethyl-2,3-dihydro-7-methyl-
CID 152767
2-(4-Cyclopropanecarbonylpiperazin-1-yl)-5-fluoro-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 154830590
2-[4-(3,3-Dimethylbutanoyl)piperazin-1-yl]-5-fluoro-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 154830593
5-Fluoro-2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 154830638
2-{4-[2-(4,5-Dimethyl-6-oxo-1,6-dihydropyrimidin-1-yl)acetyl]piperazin-1-yl}-5-fluoro-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 154830644
6-Cyclopropyl-2-{4-[2-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-1-yl)acetyl]piperazin-1-yl}-5-fluoro-3,4-dihydropyrimidin-4-one
CID 154830671
5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135515953
N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)piperazino]acetamide
CID 135515955
5-ethyl-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135644656

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136761455) is 5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one is CCc1c(C)nc(N2CCN(CC(=O)N3CCCC3)CC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is MVLDTEXSVNALJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-3-14-13(2)18-17(19-16(14)24)22-10-8-20(9-11-22)12-15(23)21-6-4-5-7-21/h3-12H2,1-2H3,(H,18,19,24).
What are the key properties of 5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 333.44 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136761455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).