4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C15H26N4O — CID 136978344

IUPAC4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC1CN(c2cc(=O)[nH]c(C(C)C)n2)C(CC)CN1
InChIInChI=1S/C15H26N4O/c1-5-11-9-19(12(6-2)8-16-11)13-7-14(20)18-15(17-13)10(3)4/h7,10-12,16H,5-6,8-9H2,1-4H3,(H,17,18,20)
InChIKeyAPOPHWKFUAKSLZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.86
Rot. Bonds4

About 4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136978344) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136978344
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC1CN(c2cc(=O)[nH]c(C(C)C)n2)C(CC)CN1
InChIInChI=1S/C15H26N4O/c1-5-11-9-19(12(6-2)8-16-11)13-7-14(20)18-15(17-13)10(3)4/h7,10-12,16H,5-6,8-9H2,1-4H3,(H,17,18,20)
InChIKeyAPOPHWKFUAKSLZ-UHFFFAOYSA-N
XLogP1.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973398
3-(2,5-diethylpiperazin-1-yl)-2H-isoquinolin-1-one
CID 64979150
2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007942
6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64978952
2,5-diethyl-1-(5-methyl-2-pyridinyl)piperazine
CID 64979037
6-(2,5-diethylpiperazin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 64979050
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136687968
2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine
CID 115973469
4-(3-ethyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979715
N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136978462
2,5-diethyl-1-naphthalen-1-ylpiperazine
CID 64931957
4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009379

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136978344) is 4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CCC1CN(c2cc(=O)[nH]c(C(C)C)n2)C(CC)CN1.
What is the InChIKey of 4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is APOPHWKFUAKSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-11-9-19(12(6-2)8-16-11)13-7-14(20)18-15(17-13)10(3)4/h7,10-12,16H,5-6,8-9H2,1-4H3,(H,17,18,20).
What are the key properties of 4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136978344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).