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

C9H15N3O3 — CID 136901119

IUPAC4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(CCO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O3/c1-15-5-7(2-3-13)12-8-4-9(14)11-6-10-8/h4,6-7,13H,2-3,5H2,1H3,(H2,10,11,12,14)
InChIKeyDHBRTMRHNVXGGO-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.42
Rot. Bonds6

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

4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136901119) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136901119
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(CCO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O3/c1-15-5-7(2-3-13)12-8-4-9(14)11-6-10-8/h4,6-7,13H,2-3,5H2,1H3,(H2,10,11,12,14)
InChIKeyDHBRTMRHNVXGGO-UHFFFAOYSA-N
XLogP-0.42
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-Amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one
CID 130611731
4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870574
4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870609
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136871935
5-amino-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901112
5-bromo-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901113
2-ethyl-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901114
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136901115
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136901116
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136901117
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136901120
5-chloro-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901121

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136901119) is 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one is COCC(CCO)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is DHBRTMRHNVXGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-15-5-7(2-3-13)12-8-4-9(14)11-6-10-8/h4,6-7,13H,2-3,5H2,1H3,(H2,10,11,12,14).
What are the key properties of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one?
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136901119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).