4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one

C10H18N4O2 — CID 136857371

IUPAC4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one
SMILESCN(C)CC(C)(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H18N4O2/c1-10(16,6-14(2)3)5-11-8-4-9(15)13-7-12-8/h4,7,16H,5-6H2,1-3H3,(H2,11,12,13,15)
InChIKeyIGGZOLLBWHRGMQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.51
Rot. Bonds5

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

4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one (PubChem CID 136857371) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one
PubChem CID136857371
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one
SMILESCN(C)CC(C)(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H18N4O2/c1-10(16,6-14(2)3)5-11-8-4-9(15)13-7-12-8/h4,7,16H,5-6H2,1-3H3,(H2,11,12,13,15)
InChIKeyIGGZOLLBWHRGMQ-UHFFFAOYSA-N
XLogP-0.51
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-(2-hydroxypropylamino)-3-methylpyrimidin-4-one
CID 130626255
4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752202
4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819391
N,2,2-trimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136843239
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136857368
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136857369
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136857372
5-chloro-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136857373
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870597
4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
CID 136914205
N,2-dimethyl-3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136914217
4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136954502

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one (CID 136857371) is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one is CN(C)CC(C)(O)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one?
The InChIKey is IGGZOLLBWHRGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(16,6-14(2)3)5-11-8-4-9(15)13-7-12-8/h4,7,16H,5-6H2,1-3H3,(H2,11,12,13,15).
What are the key properties of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one?
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136857371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).