N-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine

C22H20N4O — CID 57469900

IUPACN-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(C)cc(Nc3ncnc4nc(C)ccc34)c2)c1
InChIInChI=1S/C22H20N4O/c1-14-9-17(16-5-4-6-19(12-16)27-3)11-18(10-14)26-22-20-8-7-15(2)25-21(20)23-13-24-22/h4-13H,1-3H3,(H,23,24,25,26)
InChIKeyLJZKCUOAQLELGZ-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.06
Rot. Bonds4

About N-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine

N-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 57469900) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID57469900
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(C)cc(Nc3ncnc4nc(C)ccc34)c2)c1
InChIInChI=1S/C22H20N4O/c1-14-9-17(16-5-4-6-19(12-16)27-3)11-18(10-14)26-22-20-8-7-15(2)25-21(20)23-13-24-22/h4-13H,1-3H3,(H,23,24,25,26)
InChIKeyLJZKCUOAQLELGZ-UHFFFAOYSA-N
XLogP5.06
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine (CID 57469900) is N-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine is COc1cccc(-c2cc(C)cc(Nc3ncnc4nc(C)ccc34)c2)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is LJZKCUOAQLELGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-9-17(16-5-4-6-19(12-16)27-3)11-18(10-14)26-22-20-8-7-15(2)25-21(20)23-13-24-22/h4-13H,1-3H3,(H,23,24,25,26).
What are the key properties of N-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine?
N-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 356.43 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57469900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).