4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one

C7H12N4O3 — CID 164646643

IUPAC4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one
SMILESO=C1NOCC1NC1=NCC(O)CN1
InChIInChI=1S/C7H12N4O3/c12-4-1-8-7(9-2-4)10-5-3-14-11-6(5)13/h4-5,12H,1-3H2,(H,11,13)(H2,8,9,10)
InChIKeyKQVZZIUIRPMNIZ-UHFFFAOYSA-N
MW200.20 g/mol
LogP-2.67
Rot. Bonds1

About 4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one

4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one (PubChem CID 164646643) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one
PubChem CID164646643
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one
SMILESO=C1NOCC1NC1=NCC(O)CN1
InChIInChI=1S/C7H12N4O3/c12-4-1-8-7(9-2-4)10-5-3-14-11-6(5)13/h4-5,12H,1-3H2,(H,11,13)(H2,8,9,10)
InChIKeyKQVZZIUIRPMNIZ-UHFFFAOYSA-N
XLogP-2.67
TPSA94.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-2.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4,5-dihydro-1H-imidazol-2-ylamino)-1,2-oxazolidin-3-one
CID 133624455

Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one?
The IUPAC name of 4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one (CID 164646643) is 4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one?
The canonical SMILES for 4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one is O=C1NOCC1NC1=NCC(O)CN1.
What is the InChIKey of 4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one?
The InChIKey is KQVZZIUIRPMNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c12-4-1-8-7(9-2-4)10-5-3-14-11-6(5)13/h4-5,12H,1-3H2,(H,11,13)(H2,8,9,10).
What are the key properties of 4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one?
4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one has a molecular weight of 200.20 g/mol, XLogP of -2.67, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one is sourced from PubChem (CID 164646643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).