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

C8H9N3O2 — CID 90064102

IUPAC2-amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
SMILESCc1nc(N)nc2c1C(=O)CCO2
InChIInChI=1S/C8H9N3O2/c1-4-6-5(12)2-3-13-7(6)11-8(9)10-4/h2-3H2,1H3,(H2,9,10,11)
InChIKeyIUVVCCDGVMDHBI-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.33
Rot. Bonds

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

2-amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one (PubChem CID 90064102) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
PubChem CID90064102
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2-amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
SMILESCc1nc(N)nc2c1C(=O)CCO2
InChIInChI=1S/C8H9N3O2/c1-4-6-5(12)2-3-13-7(6)11-8(9)10-4/h2-3H2,1H3,(H2,9,10,11)
InChIKeyIUVVCCDGVMDHBI-UHFFFAOYSA-N
XLogP0.33
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,2-Difluorobutoxy)-6-ethylpyrimidin-5-yl]ethanone
CID 126711019
1-[4-(2,2-Difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone
CID 154949232
4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 172576452
4-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-amine
CID 20137762
2,4-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 22082542
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-tert-butyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
CID 118445895
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
2,4-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;ethane
CID 144114635
ethane;4-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-amine
CID 144114659

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one (CID 90064102) is 2-amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one is Cc1nc(N)nc2c1C(=O)CCO2.
What is the InChIKey of 2-amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one?
The InChIKey is IUVVCCDGVMDHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-4-6-5(12)2-3-13-7(6)11-8(9)10-4/h2-3H2,1H3,(H2,9,10,11).
What are the key properties of 2-amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one?
2-amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one has a molecular weight of 179.18 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 90064102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).