4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one

C9H15N3O3 — CID 136957701

IUPAC4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
SMILESCOCC(O)CN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O3/c1-12(4-7(13)5-15-2)8-3-9(14)11-6-10-8/h3,6-7,13H,4-5H2,1-2H3,(H,10,11,14)
InChIKeyOLMLGBBSBYTWNG-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.79
Rot. Bonds5

About 4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one

4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one (PubChem CID 136957701) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
PubChem CID136957701
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
SMILESCOCC(O)CN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O3/c1-12(4-7(13)5-15-2)8-3-9(14)11-6-10-8/h3,6-7,13H,4-5H2,1-2H3,(H,10,11,14)
InChIKeyOLMLGBBSBYTWNG-UHFFFAOYSA-N
XLogP-0.79
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one (CID 136957701) is 4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one is COCC(O)CN(C)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one?
The InChIKey is OLMLGBBSBYTWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-12(4-7(13)5-15-2)8-3-9(14)11-6-10-8/h3,6-7,13H,4-5H2,1-2H3,(H,10,11,14).
What are the key properties of 4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one?
4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).