1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone

C12H18N4O — CID 138460359

IUPAC1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCCc1ccnc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C12H18N4O/c1-3-11-4-5-13-12(14-11)16-8-6-15(7-9-16)10(2)17/h4-5H,3,6-9H2,1-2H3
InChIKeyBWQCTICRMFCNOS-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.71
Rot. Bonds2

About 1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone

1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 138460359) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID138460359
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCCc1ccnc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C12H18N4O/c1-3-11-4-5-13-12(14-11)16-8-6-15(7-9-16)10(2)17/h4-5H,3,6-9H2,1-2H3
InChIKeyBWQCTICRMFCNOS-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 139343805
1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one
CID 83888888
1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109302025
1-[4-[4-(benzylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 54587266
2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109303069
1-[4-[4-(N-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112889034
2-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109303109
6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane
CID 163847477
methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate
CID 142712818
1-[4-[4-[2-(4-chlorophenyl)ethylamino]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112889003
2-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]butanamide
CID 122353332
ethyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897882

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone (CID 138460359) is 1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone is CCc1ccnc(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is BWQCTICRMFCNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-11-4-5-13-12(14-11)16-8-6-15(7-9-16)10(2)17/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone?
1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 138460359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).