6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C16H15N5O — CID 6474986

IUPAC6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(/C=C/c2cnc3nc(N)nc(N)c3c2)cc1
InChIInChI=1S/C16H15N5O/c1-22-12-6-4-10(5-7-12)2-3-11-8-13-14(17)20-16(18)21-15(13)19-9-11/h2-9H,1H3,(H4,17,18,19,20,21)/b3-2+
InChIKeyQVQZNYVDWFENII-NSCUHMNNSA-N
MW293.33 g/mol
LogP2.37
Rot. Bonds3

About 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine

6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 6474986) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID6474986
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(/C=C/c2cnc3nc(N)nc(N)c3c2)cc1
InChIInChI=1S/C16H15N5O/c1-22-12-6-4-10(5-7-12)2-3-11-8-13-14(17)20-16(18)21-15(13)19-9-11/h2-9H,1H3,(H4,17,18,19,20,21)/b3-2+
InChIKeyQVQZNYVDWFENII-NSCUHMNNSA-N
XLogP2.37
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 6474986) is 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is COc1ccc(/C=C/c2cnc3nc(N)nc(N)c3c2)cc1.
What is the InChIKey of 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QVQZNYVDWFENII-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H15N5O/c1-22-12-6-4-10(5-7-12)2-3-11-8-13-14(17)20-16(18)21-15(13)19-9-11/h2-9H,1H3,(H4,17,18,19,20,21)/b3-2+.
What are the key properties of 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 293.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 6474986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).