2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C15H17N3O2 — CID 106471995

IUPAC2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(N)c3c(n2)CCOC3)cc1C
InChIInChI=1S/C15H17N3O2/c1-9-7-10(3-4-13(9)19-2)15-17-12-5-6-20-8-11(12)14(16)18-15/h3-4,7H,5-6,8H2,1-2H3,(H2,16,17,18)
InChIKeyBWLGOCYVBZRFOZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.12
Rot. Bonds2

About 2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106471995) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106471995
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(N)c3c(n2)CCOC3)cc1C
InChIInChI=1S/C15H17N3O2/c1-9-7-10(3-4-13(9)19-2)15-17-12-5-6-20-8-11(12)14(16)18-15/h3-4,7H,5-6,8H2,1-2H3,(H2,16,17,18)
InChIKeyBWLGOCYVBZRFOZ-UHFFFAOYSA-N
XLogP2.12
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106471995) is 2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is COc1ccc(-c2nc(N)c3c(n2)CCOC3)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is BWLGOCYVBZRFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-7-10(3-4-13(9)19-2)15-17-12-5-6-20-8-11(12)14(16)18-15/h3-4,7H,5-6,8H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106471995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).