4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

C17H17N3O4 — CID 75360227

IUPAC4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(-c2cc(-c3ccco3)nc(N)n2)cc(OC)c1OC
InChIInChI=1S/C17H17N3O4/c1-21-14-7-10(8-15(22-2)16(14)23-3)11-9-12(20-17(18)19-11)13-5-4-6-24-13/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyQEKKMAWDVJANOH-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.01
Rot. Bonds5

About 4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (PubChem CID 75360227) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
PubChem CID75360227
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(-c2cc(-c3ccco3)nc(N)n2)cc(OC)c1OC
InChIInChI=1S/C17H17N3O4/c1-21-14-7-10(8-15(22-2)16(14)23-3)11-9-12(20-17(18)19-11)13-5-4-6-24-13/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyQEKKMAWDVJANOH-UHFFFAOYSA-N
XLogP3.01
TPSA92.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (CID 75360227) is 4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is COc1cc(-c2cc(-c3ccco3)nc(N)n2)cc(OC)c1OC.
What is the InChIKey of 4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is QEKKMAWDVJANOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-21-14-7-10(8-15(22-2)16(14)23-3)11-9-12(20-17(18)19-11)13-5-4-6-24-13/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 327.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 75360227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).