2-(oxan-4-ylamino)-1H-pyrimidin-6-one

C9H13N3O2 — CID 144709896

IUPAC2-(oxan-4-ylamino)-1H-pyrimidin-6-one
SMILESO=c1ccnc(NC2CCOCC2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-1-4-10-9(12-8)11-7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H2,10,11,12,13)
InChIKeySJVWKBDRCGONSS-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.36
Rot. Bonds2

About 2-(oxan-4-ylamino)-1H-pyrimidin-6-one

2-(oxan-4-ylamino)-1H-pyrimidin-6-one (PubChem CID 144709896) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(oxan-4-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(oxan-4-ylamino)-1H-pyrimidin-6-one
PubChem CID144709896
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(oxan-4-ylamino)-1H-pyrimidin-6-one
SMILESO=c1ccnc(NC2CCOCC2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-1-4-10-9(12-8)11-7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H2,10,11,12,13)
InChIKeySJVWKBDRCGONSS-UHFFFAOYSA-N
XLogP0.36
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(oxan-4-ylamino)-1H-pyrimidin-6-one (CID 144709896) is 2-(oxan-4-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(oxan-4-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(oxan-4-ylamino)-1H-pyrimidin-6-one is O=c1ccnc(NC2CCOCC2)[nH]1.
What is the InChIKey of 2-(oxan-4-ylamino)-1H-pyrimidin-6-one?
The InChIKey is SJVWKBDRCGONSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-1-4-10-9(12-8)11-7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H2,10,11,12,13).
What are the key properties of 2-(oxan-4-ylamino)-1H-pyrimidin-6-one?
2-(oxan-4-ylamino)-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 144709896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).