2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine

C18H16N6O — CID 72875712

IUPAC2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc(-c3noc(C)n3)cc2)c2cccnc2n1
InChIInChI=1S/C18H16N6O/c1-11-21-17-15(4-3-9-19-17)18(22-11)20-10-13-5-7-14(8-6-13)16-23-12(2)25-24-16/h3-9H,10H2,1-2H3,(H,19,20,21,22)
InChIKeyBEEGTGRCXZGINN-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.30
Rot. Bonds4

About 2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine

2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 72875712) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID72875712
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc(-c3noc(C)n3)cc2)c2cccnc2n1
InChIInChI=1S/C18H16N6O/c1-11-21-17-15(4-3-9-19-17)18(22-11)20-10-13-5-7-14(8-6-13)16-23-12(2)25-24-16/h3-9H,10H2,1-2H3,(H,19,20,21,22)
InChIKeyBEEGTGRCXZGINN-UHFFFAOYSA-N
XLogP3.30
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine (CID 72875712) is 2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2ccc(-c3noc(C)n3)cc2)c2cccnc2n1.
What is the InChIKey of 2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is BEEGTGRCXZGINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-11-21-17-15(4-3-9-19-17)18(22-11)20-10-13-5-7-14(8-6-13)16-23-12(2)25-24-16/h3-9H,10H2,1-2H3,(H,19,20,21,22).
What are the key properties of 2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 332.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72875712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).