5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one

C9H12BrN3O2 — CID 136956147

IUPAC5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCOCC2)c1Br
InChIInChI=1S/C9H12BrN3O2/c10-7-8(11-5-12-9(7)14)13-6-1-3-15-4-2-6/h5-6H,1-4H2,(H2,11,12,13,14)
InChIKeyFDOAQOPQEPSERR-UHFFFAOYSA-N
MW274.12 g/mol
LogP1.12
Rot. Bonds2

About 5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one

5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956147) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
PubChem CID136956147
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCOCC2)c1Br
InChIInChI=1S/C9H12BrN3O2/c10-7-8(11-5-12-9(7)14)13-6-1-3-15-4-2-6/h5-6H,1-4H2,(H2,11,12,13,14)
InChIKeyFDOAQOPQEPSERR-UHFFFAOYSA-N
XLogP1.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-(oxan-4-ylamino)-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

5-Bromo-3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one
CID 66310430
5-bromo-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696632
5-bromo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706920
4-[3-(2-aminoethoxy)propylamino]-5-bromo-1H-pyrimidin-6-one
CID 136730543
5-bromo-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754598
4-[[4-(aminomethyl)oxan-4-yl]amino]-5-bromo-1H-pyrimidin-6-one
CID 136819575
5-bromo-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857181
5-bromo-4-(3-ethoxypropylamino)-1H-pyrimidin-6-one
CID 136956015
5-bromo-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 136956034
5-iodo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136956145
4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136956148
5-bromo-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136956246

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one (CID 136956147) is 5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCOCC2)c1Br.
What is the InChIKey of 5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one?
The InChIKey is FDOAQOPQEPSERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c10-7-8(11-5-12-9(7)14)13-6-1-3-15-4-2-6/h5-6H,1-4H2,(H2,11,12,13,14).
What are the key properties of 5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one?
5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one has a molecular weight of 274.12 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).