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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Related Compounds

4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine
CID 75359770
4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 75360077
4,5-bis(furan-2-yl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
CID 4881297
4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine
CID 18507652
2-[2-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one
CID 162668702
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
[4-(furan-2-yl)-2,6-dimethoxyphenyl]methanamine
CID 150177853
1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline
CID 44551728
4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile
CID 14950543
2-amino-6-(furan-2-yl)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 11737091
4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine
CID 90680976
4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 11381541

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).