5-methylpyrido[2,3-d]pyrimidine

C8H7N3 — CID 58077929

IUPAC5-methylpyrido[2,3-d]pyrimidine
SMILESCc1ccnc2ncncc12
InChIInChI=1S/C8H7N3/c1-6-2-3-10-8-7(6)4-9-5-11-8/h2-5H,1H3
InChIKeyNFNJCQZTGVBMQL-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.33
Rot. Bonds

About 5-methylpyrido[2,3-d]pyrimidine

5-methylpyrido[2,3-d]pyrimidine (PubChem CID 58077929) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 5-methylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-methylpyrido[2,3-d]pyrimidine
PubChem CID58077929
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name5-methylpyrido[2,3-d]pyrimidine
SMILESCc1ccnc2ncncc12
InChIInChI=1S/C8H7N3/c1-6-2-3-10-8-7(6)4-9-5-11-8/h2-5H,1H3
InChIKeyNFNJCQZTGVBMQL-UHFFFAOYSA-N
XLogP1.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylpyrido[2,3-d]pyrimidine?
The IUPAC name of 5-methylpyrido[2,3-d]pyrimidine (CID 58077929) is 5-methylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 5-methylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 5-methylpyrido[2,3-d]pyrimidine is Cc1ccnc2ncncc12.
What is the InChIKey of 5-methylpyrido[2,3-d]pyrimidine?
The InChIKey is NFNJCQZTGVBMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c1-6-2-3-10-8-7(6)4-9-5-11-8/h2-5H,1H3.
What are the key properties of 5-methylpyrido[2,3-d]pyrimidine?
5-methylpyrido[2,3-d]pyrimidine has a molecular weight of 145.16 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 58077929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).