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

C8H14N4O2 — CID 136976061

IUPAC5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O2/c1-8(2,14)3-10-6-5(9)7(13)12-4-11-6/h4,14H,3,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyYFKDXRWIEVJHTQ-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.47
Rot. Bonds3

About 5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136976061) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136976061
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O2/c1-8(2,14)3-10-6-5(9)7(13)12-4-11-6/h4,14H,3,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyYFKDXRWIEVJHTQ-UHFFFAOYSA-N
XLogP-0.47
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-[(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

5-amino-2-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 20570033
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-[ethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 135568293
5-amino-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one
CID 136805776
5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819388
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869190
5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870592
5-amino-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136954505
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958333
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid
CID 136958561
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid
CID 136958568

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 136976061) is 5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is CC(C)(O)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is YFKDXRWIEVJHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-8(2,14)3-10-6-5(9)7(13)12-4-11-6/h4,14H,3,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 198.23 g/mol, XLogP of -0.47, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).