4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one

C9H13N3O2 — CID 136957322

IUPAC4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(O)CCC2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-4-7(11-6-12-8)10-5-9(14)2-1-3-9/h4,6,14H,1-3,5H2,(H2,10,11,12,13)
InChIKeyUKSXIFHCNMCADW-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.10
Rot. Bonds3

About 4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one

4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136957322) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136957322
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(O)CCC2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-4-7(11-6-12-8)10-5-9(14)2-1-3-9/h4,6,14H,1-3,5H2,(H2,10,11,12,13)
InChIKeyUKSXIFHCNMCADW-UHFFFAOYSA-N
XLogP0.10
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136957322) is 4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one is O=c1cc(NCC2(O)CCC2)nc[nH]1.
What is the InChIKey of 4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is UKSXIFHCNMCADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-4-7(11-6-12-8)10-5-9(14)2-1-3-9/h4,6,14H,1-3,5H2,(H2,10,11,12,13).
What are the key properties of 4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).