4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine

C14H17BrN4 — CID 80788913

IUPAC4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2cc(Br)ccc2C)ncn1
InChIInChI=1S/C14H17BrN4/c1-3-6-16-13-8-14(18-9-17-13)19-12-7-11(15)5-4-10(12)2/h4-5,7-9H,3,6H2,1-2H3,(H2,16,17,18,19)
InChIKeyVLUYLLNUDWCVJF-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.11
Rot. Bonds5

About 4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine

4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80788913) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80788913
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2cc(Br)ccc2C)ncn1
InChIInChI=1S/C14H17BrN4/c1-3-6-16-13-8-14(18-9-17-13)19-12-7-11(15)5-4-10(12)2/h4-5,7-9H,3,6H2,1-2H3,(H2,16,17,18,19)
InChIKeyVLUYLLNUDWCVJF-UHFFFAOYSA-N
XLogP4.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755281
4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864104
5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104533102
6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857450
4-N-(4-chloro-2-fluorophenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80801204
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80789415
4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857691
6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338601
4-N-(4-bromo-2-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80759265
6-N-propyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736803
4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80789152
4-N-(5-bromo-2-methylphenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine
CID 80788732

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine (CID 80788913) is 4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2cc(Br)ccc2C)ncn1.
What is the InChIKey of 4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is VLUYLLNUDWCVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-3-6-16-13-8-14(18-9-17-13)19-12-7-11(15)5-4-10(12)2/h4-5,7-9H,3,6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 321.22 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80788913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).