2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C11H18N4O2 — CID 63556235

IUPAC2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(N2CCCNCC2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-2-8-9(16)13-11(14-10(8)17)15-6-3-4-12-5-7-15/h12H,2-7H2,1H3,(H2,13,14,16,17)
InChIKeyQAMXPYVLUVBFFQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.16
Rot. Bonds2

About 2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63556235) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63556235
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(N2CCCNCC2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-2-8-9(16)13-11(14-10(8)17)15-6-3-4-12-5-7-15/h12H,2-7H2,1H3,(H2,13,14,16,17)
InChIKeyQAMXPYVLUVBFFQ-UHFFFAOYSA-N
XLogP-0.16
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 57102753
5-ethyl-2-(4-ethylpiperazin-1-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 1832032
5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 24845080
2-(azepan-1-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 55216631
2-(azepan-1-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 55217406
2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63553743
5-ethyl-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 63555709
4-hydroxy-2-piperazin-1-yl-5-propyl-1H-pyrimidin-6-one
CID 63555710
4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one
CID 63555883
2-(1,4-diazepan-1-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63556236
2-(1,4-diazepan-1-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63556237
4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63612628

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 63556235) is 2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(N2CCCNCC2)[nH]c1=O.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is QAMXPYVLUVBFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-8-9(16)13-11(14-10(8)17)15-6-3-4-12-5-7-15/h12H,2-7H2,1H3,(H2,13,14,16,17).
What are the key properties of 2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63556235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).