4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine

C9H9N3 — CID 145119941

IUPAC4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine
SMILESC=c1ccnc2c1=C(C)NC=N2
InChIInChI=1S/C9H9N3/c1-6-3-4-10-9-8(6)7(2)11-5-12-9/h3-5H,1H2,2H3,(H,10,11,12)
InChIKeyLNQFGKIFCVXSDZ-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.12
Rot. Bonds

About 4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine

4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine (PubChem CID 145119941) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine
PubChem CID145119941
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine
SMILESC=c1ccnc2c1=C(C)NC=N2
InChIInChI=1S/C9H9N3/c1-6-3-4-10-9-8(6)7(2)11-5-12-9/h3-5H,1H2,2H3,(H,10,11,12)
InChIKeyLNQFGKIFCVXSDZ-UHFFFAOYSA-N
XLogP-0.12
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine (CID 145119941) is 4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine is C=c1ccnc2c1=C(C)NC=N2.
What is the InChIKey of 4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine?
The InChIKey is LNQFGKIFCVXSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-6-3-4-10-9-8(6)7(2)11-5-12-9/h3-5H,1H2,2H3,(H,10,11,12).
What are the key properties of 4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine?
4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine has a molecular weight of 159.19 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 145119941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).