4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline

C14H12N4 — CID 155718233

IUPAC4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline
SMILESCc1ccc(N)cc1-c1cnc2ncncc2c1
InChIInChI=1S/C14H12N4/c1-9-2-3-12(15)5-13(9)10-4-11-6-16-8-18-14(11)17-7-10/h2-8H,15H2,1H3
InChIKeyUQHHVIKUGYZCOM-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.58
Rot. Bonds1

About 4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline

4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline (PubChem CID 155718233) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline.

Molecular Properties

Compound Name4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline
PubChem CID155718233
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline
SMILESCc1ccc(N)cc1-c1cnc2ncncc2c1
InChIInChI=1S/C14H12N4/c1-9-2-3-12(15)5-13(9)10-4-11-6-16-8-18-14(11)17-7-10/h2-8H,15H2,1H3
InChIKeyUQHHVIKUGYZCOM-UHFFFAOYSA-N
XLogP2.58
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline?
The IUPAC name of 4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline (CID 155718233) is 4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline.
What is the SMILES notation for 4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline?
The canonical SMILES for 4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline is Cc1ccc(N)cc1-c1cnc2ncncc2c1.
What is the InChIKey of 4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline?
The InChIKey is UQHHVIKUGYZCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-9-2-3-12(15)5-13(9)10-4-11-6-16-8-18-14(11)17-7-10/h2-8H,15H2,1H3.
What are the key properties of 4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline?
4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline has a molecular weight of 236.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline is sourced from PubChem (CID 155718233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).