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

C9H15N3O2 — CID 136956748

IUPAC4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC(C)(C)O)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-6-11-7(4-8(13)12-6)10-5-9(2,3)14/h4,14H,5H2,1-3H3,(H2,10,11,12,13)
InChIKeyYHOGCBAGRRLKFE-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.26
Rot. Bonds3

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

4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956748) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136956748
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC(C)(C)O)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-6-11-7(4-8(13)12-6)10-5-9(2,3)14/h4,14H,5H2,1-3H3,(H2,10,11,12,13)
InChIKeyYHOGCBAGRRLKFE-UHFFFAOYSA-N
XLogP0.26
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-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-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790776
4-[(3,3-difluoro-2-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136790787
4-(butylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818517
2-ethyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278155
2-ethyl-4-(ethylamino)-1H-pyrimidin-6-one
CID 136278156
2-methyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136290652
4-(ethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136294348
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136805779
2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one
CID 136818885
4-[(2-hydroxy-2-methylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136819385
4-[(2-hydroxy-2-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136819389
4-(2-methoxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136820296

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136956748) is 4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCC(C)(C)O)cc(=O)[nH]1.
What is the InChIKey of 4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is YHOGCBAGRRLKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-11-7(4-8(13)12-6)10-5-9(2,3)14/h4,14H,5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).