7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine

C14H14BrN5 — CID 68767884

IUPAC7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCN1C(N)=Nc2nc(-c3ccccc3Br)ccc2C1N
InChIInChI=1S/C14H14BrN5/c1-20-12(16)9-6-7-11(18-13(9)19-14(20)17)8-4-2-3-5-10(8)15/h2-7,12H,16H2,1H3,(H2,17,18,19)
InChIKeyHWUHAGWSUWDBKP-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.36
Rot. Bonds1

About 7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine

7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 68767884) has the molecular formula C14H14BrN5 and a molecular weight of 332.21 g/mol. Its IUPAC name is 7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID68767884
Molecular FormulaC14H14BrN5
Molecular Weight332.21 g/mol
Exact Mass331.04
IUPAC Name7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCN1C(N)=Nc2nc(-c3ccccc3Br)ccc2C1N
InChIInChI=1S/C14H14BrN5/c1-20-12(16)9-6-7-11(18-13(9)19-14(20)17)8-4-2-3-5-10(8)15/h2-7,12H,16H2,1H3,(H2,17,18,19)
InChIKeyHWUHAGWSUWDBKP-UHFFFAOYSA-N
XLogP2.36
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine (CID 68767884) is 7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine is CN1C(N)=Nc2nc(-c3ccccc3Br)ccc2C1N.
What is the InChIKey of 7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is HWUHAGWSUWDBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5/c1-20-12(16)9-6-7-11(18-13(9)19-14(20)17)8-4-2-3-5-10(8)15/h2-7,12H,16H2,1H3,(H2,17,18,19).
What are the key properties of 7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine?
7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 332.21 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromophenyl)-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 68767884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).