7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine

C14H12BrN5 — CID 15982706

IUPAC7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3ccccc3Br)ccc12
InChIInChI=1S/C14H12BrN5/c1-17-12-9-6-7-11(8-4-2-3-5-10(8)15)18-13(9)20-14(16)19-12/h2-7H,1H3,(H3,16,17,18,19,20)
InChIKeyHQNAGALBLNMJCS-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.08
Rot. Bonds2

About 7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine

7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 15982706) has the molecular formula C14H12BrN5 and a molecular weight of 330.19 g/mol. Its IUPAC name is 7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID15982706
Molecular FormulaC14H12BrN5
Molecular Weight330.19 g/mol
Exact Mass329.03
IUPAC Name7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3ccccc3Br)ccc12
InChIInChI=1S/C14H12BrN5/c1-17-12-9-6-7-11(8-4-2-3-5-10(8)15)18-13(9)20-14(16)19-12/h2-7H,1H3,(H3,16,17,18,19,20)
InChIKeyHQNAGALBLNMJCS-UHFFFAOYSA-N
XLogP3.08
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 15982706) is 7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N)nc2nc(-c3ccccc3Br)ccc12.
What is the InChIKey of 7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is HQNAGALBLNMJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5/c1-17-12-9-6-7-11(8-4-2-3-5-10(8)15)18-13(9)20-14(16)19-12/h2-7H,1H3,(H3,16,17,18,19,20).
What are the key properties of 7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 330.19 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 15982706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).