4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one

C14H22N4O2 — CID 136742758

IUPAC4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC3(CCCNC3)C2)nc[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-20-11-12(16-10-17-13(11)19)18-7-3-5-14(9-18)4-2-6-15-8-14/h10,15H,2-9H2,1H3,(H,16,17,19)
InChIKeyZSTXNJMMMXSPPT-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.75
Rot. Bonds2

About 4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one

4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136742758) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136742758
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC3(CCCNC3)C2)nc[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-20-11-12(16-10-17-13(11)19)18-7-3-5-14(9-18)4-2-6-15-8-14/h10,15H,2-9H2,1H3,(H,16,17,19)
InChIKeyZSTXNJMMMXSPPT-UHFFFAOYSA-N
XLogP0.75
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-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

Related Compounds

4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136733812
N-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792780
5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794530
5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327
5-methoxy-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805334
4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805344
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805352
5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805362
4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136869155
4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136912679
4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136912700
4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136948245

Frequently Asked Questions

What is the IUPAC name of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one (CID 136742758) is 4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCCC3(CCCNC3)C2)nc[nH]c1=O.
What is the InChIKey of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is ZSTXNJMMMXSPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-11-12(16-10-17-13(11)19)18-7-3-5-14(9-18)4-2-6-15-8-14/h10,15H,2-9H2,1H3,(H,16,17,19).
What are the key properties of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 278.36 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136742758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).