2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one

C7H11N3O2 — CID 94830368

IUPAC2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCC(C)Oc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C7H11N3O2/c1-4(2)12-6-3-5(11)9-7(8)10-6/h3-4H,1-2H3,(H3,8,9,10,11)
InChIKeyGDZOQZYMVDNHNA-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.14
Rot. Bonds2

About 2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one

2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one (PubChem CID 94830368) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one
PubChem CID94830368
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCC(C)Oc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C7H11N3O2/c1-4(2)12-6-3-5(11)9-7(8)10-6/h3-4H,1-2H3,(H3,8,9,10,11)
InChIKeyGDZOQZYMVDNHNA-UHFFFAOYSA-N
XLogP0.14
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-propan-2-yloxy-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-Amino-4-hydroxy-6-methoxypyrimidine
CID 1532133
2-Amino-6-ethoxypyrimidin-4(3H)-one
CID 587657
2-Methoxy-4-methoxy-6-hydroxypyrimidine
CID 12258855
2-Methoxy-4-ethoxy-6-hydroxypyrimidine
CID 12258859
2-Ethoxy-6-methoxypyrimidin-4(1H)-one
CID 12258860
2-(dimethylamino)-4-methoxy-1H-pyrimidin-6-one
CID 21415039
2-Dimethylamino-4-n-propoxy-6-hydroxy-pyrimidine
CID 21415043
2-(Dimethylamino)-6-ethoxypyrimidin-4(1H)-one
CID 21415045
2-ethoxy-4-propan-2-yloxy-1H-pyrimidin-6-one
CID 23338950
2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 23525152
6-Hydroxy-2-isopropoxypyrimidin-4(1H)-one
CID 45117364
(2-amino-6-oxo-1H-pyrimidin-4-yl) acetate
CID 57038123

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one (CID 94830368) is 2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one is CC(C)Oc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is GDZOQZYMVDNHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4(2)12-6-3-5(11)9-7(8)10-6/h3-4H,1-2H3,(H3,8,9,10,11).
What are the key properties of 2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one?
2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-propan-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 94830368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).