1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone

C14H21ClN4O — CID 80971021

IUPAC1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCCCc1nc(Cl)c(C)c(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C14H21ClN4O/c1-4-5-12-16-13(15)10(2)14(17-12)19-8-6-18(7-9-19)11(3)20/h4-9H2,1-3H3
InChIKeyGQZBGYBLGLSIQL-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.06
Rot. Bonds3

About 1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone

1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 80971021) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID80971021
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCCCc1nc(Cl)c(C)c(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C14H21ClN4O/c1-4-5-12-16-13(15)10(2)14(17-12)19-8-6-18(7-9-19)11(3)20/h4-9H2,1-3H3
InChIKeyGQZBGYBLGLSIQL-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 71980313
7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 80977508
1-[4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 80979741
[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95785288
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 80979070
1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80766566
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82751091
1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide
CID 79238224
4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 79237706
4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine
CID 80972005
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine
CID 80971909
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane
CID 80978841

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 80971021) is 1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone is CCCc1nc(Cl)c(C)c(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is GQZBGYBLGLSIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-4-5-12-16-13(15)10(2)14(17-12)19-8-6-18(7-9-19)11(3)20/h4-9H2,1-3H3.
What are the key properties of 1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone?
1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 296.80 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 80971021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).