2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one

C11H15N3O2 — CID 118445895

IUPAC2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
SMILESCC(C)(C)c1nc(N)nc2c1C(=O)CCO2
InChIInChI=1S/C11H15N3O2/c1-11(2,3)8-7-6(15)4-5-16-9(7)14-10(12)13-8/h4-5H2,1-3H3,(H2,12,13,14)
InChIKeyWYLNKCAIAWALBV-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.32
Rot. Bonds

About 2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one

2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one (PubChem CID 118445895) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
PubChem CID118445895
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
SMILESCC(C)(C)c1nc(N)nc2c1C(=O)CCO2
InChIInChI=1S/C11H15N3O2/c1-11(2,3)8-7-6(15)4-5-16-9(7)14-10(12)13-8/h4-5H2,1-3H3,(H2,12,13,14)
InChIKeyWYLNKCAIAWALBV-UHFFFAOYSA-N
XLogP1.32
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2,4-Di-t-butyl-6,7-dihydro-5h-pyrano[2,3-d]pyrimidine
CID 129708459
7,7-dimethyl-2,4-di(propan-2-yl)-6H-pyrano[2,3-d]pyrimidin-5-one
CID 59634353
2-Methyl-7-methylidene-4-propan-2-ylpyrano[2,3-d]pyrimidin-5-one
CID 67566357
2-Amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
CID 90064102
ethane;2,4,7,7-tetramethyl-6H-pyrano[2,3-d]pyrimidin-5-one
CID 144114586
2,4,7,7-tetramethyl-6H-pyrano[2,3-d]pyrimidin-5-one
CID 144114587
1-(4-Butoxy-2-chloro-6-methylpyrimidin-5-yl)propan-1-one
CID 170185896

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one (CID 118445895) is 2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one is CC(C)(C)c1nc(N)nc2c1C(=O)CCO2.
What is the InChIKey of 2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one?
The InChIKey is WYLNKCAIAWALBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(2,3)8-7-6(15)4-5-16-9(7)14-10(12)13-8/h4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one?
2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one has a molecular weight of 221.26 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 118445895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).