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

C10H16N4O2 — CID 63553743

IUPAC2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(N2CCCNCC2)[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-7-8(15)12-10(13-9(7)16)14-5-2-3-11-4-6-14/h11H,2-6H2,1H3,(H2,12,13,15,16)
InChIKeyPXNFEDRNSXWEDB-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.42
Rot. Bonds1

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

2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 63553743) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID63553743
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(N2CCCNCC2)[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-7-8(15)12-10(13-9(7)16)14-5-2-3-11-4-6-14/h11H,2-6H2,1H3,(H2,12,13,15,16)
InChIKeyPXNFEDRNSXWEDB-UHFFFAOYSA-N
XLogP-0.42
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 63553743) is 2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(N2CCCNCC2)[nH]c1=O.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is PXNFEDRNSXWEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-8(15)12-10(13-9(7)16)14-5-2-3-11-4-6-14/h11H,2-6H2,1H3,(H2,12,13,15,16).
What are the key properties of 2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.42, 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-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63553743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).