6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine

C20H22N4O2 — CID 166931908

IUPAC6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine
SMILESCCc1ncc2cc(-c3cc(OC)cc(OC4CCC4)c3)c(N)nc2n1
InChIInChI=1S/C20H22N4O2/c1-3-18-22-11-13-9-17(19(21)24-20(13)23-18)12-7-15(25-2)10-16(8-12)26-14-5-4-6-14/h7-11,14H,3-6H2,1-2H3,(H2,21,22,23,24)
InChIKeyTYVTZDPFHVKZOR-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.78
Rot. Bonds5

About 6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine

6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine (PubChem CID 166931908) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine
PubChem CID166931908
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine
SMILESCCc1ncc2cc(-c3cc(OC)cc(OC4CCC4)c3)c(N)nc2n1
InChIInChI=1S/C20H22N4O2/c1-3-18-22-11-13-9-17(19(21)24-20(13)23-18)12-7-15(25-2)10-16(8-12)26-14-5-4-6-14/h7-11,14H,3-6H2,1-2H3,(H2,21,22,23,24)
InChIKeyTYVTZDPFHVKZOR-UHFFFAOYSA-N
XLogP3.78
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine (CID 166931908) is 6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for 6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine is CCc1ncc2cc(-c3cc(OC)cc(OC4CCC4)c3)c(N)nc2n1.
What is the InChIKey of 6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is TYVTZDPFHVKZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-18-22-11-13-9-17(19(21)24-20(13)23-18)12-7-15(25-2)10-16(8-12)26-14-5-4-6-14/h7-11,14H,3-6H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine?
6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 350.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclobutyloxy-5-methoxyphenyl)-2-ethylpyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 166931908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).