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

C9H15N3O2 — CID 136957984

IUPAC4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC(C)(C)O)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-9(2,14)5-12(3)7-4-8(13)11-6-10-7/h4,6,14H,5H2,1-3H3,(H,10,11,13)
InChIKeyMGVBPAYSWNMXOD-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.02
Rot. Bonds3

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

4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one (PubChem CID 136957984) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one
PubChem CID136957984
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC(C)(C)O)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-9(2,14)5-12(3)7-4-8(13)11-6-10-7/h4,6,14H,5H2,1-3H3,(H,10,11,13)
InChIKeyMGVBPAYSWNMXOD-UHFFFAOYSA-N
XLogP-0.02
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 136650100
4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957461
2-Amino-6-(2-hydroxypropylamino)-3-methylpyrimidin-4-one
CID 130626255
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one
CID 136805780
4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819391
4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822016
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136857369
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136857371
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136857372
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869196
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870597

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one (CID 136957984) is 4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one is CN(CC(C)(C)O)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one?
The InChIKey is MGVBPAYSWNMXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,14)5-12(3)7-4-8(13)11-6-10-7/h4,6,14H,5H2,1-3H3,(H,10,11,13).
What are the key properties of 4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one?
4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).