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

C13H22N4O2 — CID 136857374

IUPAC2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one
SMILESCN(C)CC(C)(O)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H22N4O2/c1-13(19,8-17(2)3)7-14-10-6-11(18)16-12(15-10)9-4-5-9/h6,9,19H,4-5,7-8H2,1-3H3,(H2,14,15,16,18)
InChIKeyZYAIGJPHAGXRJY-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.37
Rot. Bonds6

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

2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one (PubChem CID 136857374) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one
PubChem CID136857374
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one
SMILESCN(C)CC(C)(O)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H22N4O2/c1-13(19,8-17(2)3)7-14-10-6-11(18)16-12(15-10)9-4-5-9/h6,9,19H,4-5,7-8H2,1-3H3,(H2,14,15,16,18)
InChIKeyZYAIGJPHAGXRJY-UHFFFAOYSA-N
XLogP0.37
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734032
2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752201
2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752207
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136783268
4-[(2-hydroxy-2-methylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136819385
2-cyclopropyl-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820291
2-cyclopropyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822014
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 136843236
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
2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136864255
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136869193

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one (CID 136857374) is 2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one is CN(C)CC(C)(O)CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one?
The InChIKey is ZYAIGJPHAGXRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(19,8-17(2)3)7-14-10-6-11(18)16-12(15-10)9-4-5-9/h6,9,19H,4-5,7-8H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136857374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).