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

C9H14N4O2 — CID 63553569

IUPAC2-(1,4-diazepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(N2CCCNCC2)[nH]1
InChIInChI=1S/C9H14N4O2/c14-7-6-8(15)12-9(11-7)13-4-1-2-10-3-5-13/h6,10H,1-5H2,(H2,11,12,14,15)
InChIKeyWLLHAIIYIRLACS-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.72
Rot. Bonds1

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

2-(1,4-diazepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63553569) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63553569
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-(1,4-diazepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(N2CCCNCC2)[nH]1
InChIInChI=1S/C9H14N4O2/c14-7-6-8(15)12-9(11-7)13-4-1-2-10-3-5-13/h6,10H,1-5H2,(H2,11,12,14,15)
InChIKeyWLLHAIIYIRLACS-UHFFFAOYSA-N
XLogP-0.72
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-diazepan-1-yl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550667
4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 63556061
2-(2-aminoethylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 70540490
4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 150222005
2-(1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 1404231
4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 13151076
2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63553743
2-(azepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 63612083
4-amino-2-(1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136077460
2-amino-6-(1,4-diazepan-1-yl)pyrimidin-4(3H)-one
CID 136776197
4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136957425
4-(4-acetyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136957659

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,4-diazepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 63553569) is 2-(1,4-diazepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(N2CCCNCC2)[nH]1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is WLLHAIIYIRLACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-7-6-8(15)12-9(11-7)13-4-1-2-10-3-5-13/h6,10H,1-5H2,(H2,11,12,14,15).
What are the key properties of 2-(1,4-diazepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1,4-diazepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.72, 1 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)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63553569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).