4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one

C8H13N3O3 — CID 136870609

IUPAC4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(CO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O3/c1-14-4-6(3-12)11-7-2-8(13)10-5-9-7/h2,5-6,12H,3-4H2,1H3,(H2,9,10,11,13)
InChIKeyDKIWUVASOJOISK-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.81
Rot. Bonds5

About 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one

4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136870609) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136870609
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(CO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O3/c1-14-4-6(3-12)11-7-2-8(13)10-5-9-7/h2,5-6,12H,3-4H2,1H3,(H2,9,10,11,13)
InChIKeyDKIWUVASOJOISK-UHFFFAOYSA-N
XLogP-0.81
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one (CID 136870609) is 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one is COCC(CO)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is DKIWUVASOJOISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-14-4-6(3-12)11-7-2-8(13)10-5-9-7/h2,5-6,12H,3-4H2,1H3,(H2,9,10,11,13).
What are the key properties of 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 199.21 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).