2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one

C10H17N3O2 — CID 154539815

IUPAC2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one
SMILESCC(C)(C)COCc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C10H17N3O2/c1-10(2,3)6-15-5-7-4-8(14)13-9(11)12-7/h4H,5-6H2,1-3H3,(H3,11,12,13,14)
InChIKeySDXLNLYKIDWXGL-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.91
Rot. Bonds3

About 2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one

2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one (PubChem CID 154539815) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one
PubChem CID154539815
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one
SMILESCC(C)(C)COCc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C10H17N3O2/c1-10(2,3)6-15-5-7-4-8(14)13-9(11)12-7/h4H,5-6H2,1-3H3,(H3,11,12,13,14)
InChIKeySDXLNLYKIDWXGL-UHFFFAOYSA-N
XLogP0.91
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one (CID 154539815) is 2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one is CC(C)(C)COCc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is SDXLNLYKIDWXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)6-15-5-7-4-8(14)13-9(11)12-7/h4H,5-6H2,1-3H3,(H3,11,12,13,14).
What are the key properties of 2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one?
2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,2-dimethylpropoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 154539815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).