5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine

C14H16Br2N4 — CID 80789415

IUPAC5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(Nc2cc(Br)ccc2C)n1
InChIInChI=1S/C14H16Br2N4/c1-3-6-17-14-18-8-11(16)13(20-14)19-12-7-10(15)5-4-9(12)2/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyBXPQHSUKGKVPAI-UHFFFAOYSA-N
MW400.12 g/mol
LogP4.88
Rot. Bonds5

About 5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine

5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80789415) has the molecular formula C14H16Br2N4 and a molecular weight of 400.12 g/mol. Its IUPAC name is 5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80789415
Molecular FormulaC14H16Br2N4
Molecular Weight400.12 g/mol
Exact Mass397.97
IUPAC Name5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(Nc2cc(Br)ccc2C)n1
InChIInChI=1S/C14H16Br2N4/c1-3-6-17-14-18-8-11(16)13(20-14)19-12-7-10(15)5-4-9(12)2/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyBXPQHSUKGKVPAI-UHFFFAOYSA-N
XLogP4.88
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.12
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80788736
5-bromo-4-N-(5-fluoro-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80761631
4-N-(5-bromo-2-methylphenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine
CID 80788732
5-bromo-4-N-(5-bromo-2-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80785165
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80789337
4-bromo-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107801746
5-bromo-2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762209
5-bromo-4-N-(4-bromo-2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107608351
4-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 107594445
5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80754775
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
5-chloro-4-N-(5-fluoro-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762137

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine (CID 80789415) is 5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Br)c(Nc2cc(Br)ccc2C)n1.
What is the InChIKey of 5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is BXPQHSUKGKVPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N4/c1-3-6-17-14-18-8-11(16)13(20-14)19-12-7-10(15)5-4-9(12)2/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 400.12 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80789415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).