4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine

C15H14BrN5 — CID 5328255

IUPAC4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine
SMILESCNc1cc2ncn(C)/c(=N\c3cccc(Br)c3)c2cn1
InChIInChI=1S/C15H14BrN5/c1-17-14-7-13-12(8-18-14)15(21(2)9-19-13)20-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,17,18)/b20-15-
InChIKeyKGPJHDOZKFVFLW-HKWRFOASSA-N
MW344.22 g/mol
LogP3.00
Rot. Bonds2

About 4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine

4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine (PubChem CID 5328255) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is 4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine
PubChem CID5328255
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC Name4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine
SMILESCNc1cc2ncn(C)/c(=N\c3cccc(Br)c3)c2cn1
InChIInChI=1S/C15H14BrN5/c1-17-14-7-13-12(8-18-14)15(21(2)9-19-13)20-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,17,18)/b20-15-
InChIKeyKGPJHDOZKFVFLW-HKWRFOASSA-N
XLogP3.00
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pd 158780
CID 4707
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 5328249
N-(3-bromophenyl)-7-fluoropyrido[4,3-d]pyrimidin-4-amine
CID 5328251
N-(3-bromophenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 5328257
N-(3-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 5328266
4-N-(3-bromophenyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 5328267
N-(3-bromophenyl)-7-fluoropyrido[2,3-d]pyrimidin-4-amine
CID 5328268
4-N-(3-bromophenyl)-7-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 5328269

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine?
The IUPAC name of 4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine (CID 5328255) is 4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine is CNc1cc2ncn(C)/c(=N\c3cccc(Br)c3)c2cn1.
What is the InChIKey of 4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine?
The InChIKey is KGPJHDOZKFVFLW-HKWRFOASSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-17-14-7-13-12(8-18-14)15(21(2)9-19-13)20-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,17,18)/b20-15-.
What are the key properties of 4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine?
4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine has a molecular weight of 344.22 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)imino-N,3-dimethylpyrido[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 5328255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).