5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine

C14H17BrN4 — CID 80780077

IUPAC5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
SMILESCCCc1ccc(Nc2nc(NC)ncc2Br)cc1
InChIInChI=1S/C14H17BrN4/c1-3-4-10-5-7-11(8-6-10)18-13-12(15)9-17-14(16-2)19-13/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeySCPZIVWWHPRUDI-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.98
Rot. Bonds5

About 5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine

5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine (PubChem CID 80780077) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
PubChem CID80780077
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
SMILESCCCc1ccc(Nc2nc(NC)ncc2Br)cc1
InChIInChI=1S/C14H17BrN4/c1-3-4-10-5-7-11(8-6-10)18-13-12(15)9-17-14(16-2)19-13/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeySCPZIVWWHPRUDI-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine
CID 79076273
5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761431
5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104781960
2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780741
4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80761999
5-bromo-4-N-[2-(4-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80794844
5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761231
5-bromo-2-N-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80825733
5-bromo-4-N-[3-(methoxymethyl)phenyl]-2-N-methylpyrimidine-2,4-diamine
CID 80801794
5-bromo-4-N-[(4-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80766330
5-bromo-4-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80728752
5-bromo-4-N-(3-ethylpentan-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80840430

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine (CID 80780077) is 5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine is CCCc1ccc(Nc2nc(NC)ncc2Br)cc1.
What is the InChIKey of 5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine?
The InChIKey is SCPZIVWWHPRUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-3-4-10-5-7-11(8-6-10)18-13-12(15)9-17-14(16-2)19-13/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine?
5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine has a molecular weight of 321.22 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80780077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).