6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine

C15H15N5O2 — CID 5328126

IUPAC6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCOc1cc(OC)cc(-c2cc3cnc(N)nc3nc2N)c1
InChIInChI=1S/C15H15N5O2/c1-21-10-3-8(4-11(6-10)22-2)12-5-9-7-18-15(17)20-14(9)19-13(12)16/h3-7H,1-2H3,(H4,16,17,18,19,20)
InChIKeyLOIKOLAEHONJTE-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.87
Rot. Bonds3

About 6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine

6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine (PubChem CID 5328126) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
PubChem CID5328126
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCOc1cc(OC)cc(-c2cc3cnc(N)nc3nc2N)c1
InChIInChI=1S/C15H15N5O2/c1-21-10-3-8(4-11(6-10)22-2)12-5-9-7-18-15(17)20-14(9)19-13(12)16/h3-7H,1-2H3,(H4,16,17,18,19,20)
InChIKeyLOIKOLAEHONJTE-UHFFFAOYSA-N
XLogP1.87
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of 6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine (CID 5328126) is 6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine is COc1cc(OC)cc(-c2cc3cnc(N)nc3nc2N)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is LOIKOLAEHONJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-21-10-3-8(4-11(6-10)22-2)12-5-9-7-18-15(17)20-14(9)19-13(12)16/h3-7H,1-2H3,(H4,16,17,18,19,20).
What are the key properties of 6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 297.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 5328126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).