4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one

C8H13N3O3 — CID 136957041

IUPAC4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(CO)(CO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O3/c1-8(3-12,4-13)11-6-2-7(14)10-5-9-6/h2,5,12-13H,3-4H2,1H3,(H2,9,10,11,14)
InChIKeyOHYLGURDYNRYRB-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.07
Rot. Bonds4

About 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one

4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136957041) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136957041
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(CO)(CO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O3/c1-8(3-12,4-13)11-6-2-7(14)10-5-9-6/h2,5,12-13H,3-4H2,1H3,(H2,9,10,11,14)
InChIKeyOHYLGURDYNRYRB-UHFFFAOYSA-N
XLogP-1.07
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-((2-Hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271513
2-Amino-6-(1-hydroxypropan-2-ylamino)-3-methylpyrimidin-4-one
CID 130611731
5-amino-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
CID 136866835
5-bromo-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
CID 136866836
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
CID 136866839
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136866840
5-chloro-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
CID 136866841
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870597
4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870609
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136871933
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136871935
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136949431

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one (CID 136957041) is 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one is CC(CO)(CO)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is OHYLGURDYNRYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-8(3-12,4-13)11-6-2-7(14)10-5-9-6/h2,5,12-13H,3-4H2,1H3,(H2,9,10,11,14).
What are the key properties of 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one?
4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 199.21 g/mol, XLogP of -1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).