4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol

C13H13N3O2 — CID 136982295

IUPAC4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol
SMILESNc1nc(-c2ccc(O)cc2)nc2c1COCC2
InChIInChI=1S/C13H13N3O2/c14-12-10-7-18-6-5-11(10)15-13(16-12)8-1-3-9(17)4-2-8/h1-4,17H,5-7H2,(H2,14,15,16)
InChIKeyPLLSGBZNWQSYDX-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.50
Rot. Bonds1

About 4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol

4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol (PubChem CID 136982295) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol
PubChem CID136982295
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol
SMILESNc1nc(-c2ccc(O)cc2)nc2c1COCC2
InChIInChI=1S/C13H13N3O2/c14-12-10-7-18-6-5-11(10)15-13(16-12)8-1-3-9(17)4-2-8/h1-4,17H,5-7H2,(H2,14,15,16)
InChIKeyPLLSGBZNWQSYDX-UHFFFAOYSA-N
XLogP1.50
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol 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-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471995
2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106889312
2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472866
2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472921
2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472008
4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline
CID 67506451
4-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline
CID 68760923
2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472857
4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106847815
2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid
CID 105462637
N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472694
2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471831

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol?
The IUPAC name of 4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol (CID 136982295) is 4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol.
What is the SMILES notation for 4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol?
The canonical SMILES for 4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol is Nc1nc(-c2ccc(O)cc2)nc2c1COCC2.
What is the InChIKey of 4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol?
The InChIKey is PLLSGBZNWQSYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-12-10-7-18-6-5-11(10)15-13(16-12)8-1-3-9(17)4-2-8/h1-4,17H,5-7H2,(H2,14,15,16).
What are the key properties of 4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol?
4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol has a molecular weight of 243.27 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol is sourced from PubChem (CID 136982295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).