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

C14H17BrN4 — CID 80768499

IUPAC4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccc(C)cc1Br
InChIInChI=1S/C14H17BrN4/c1-3-4-10-13(16)17-8-18-14(10)19-12-6-5-9(2)7-11(12)15/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeyFENPCVNCIFYFQE-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.83
Rot. Bonds4

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

4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80768499) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine
PubChem CID80768499
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccc(C)cc1Br
InChIInChI=1S/C14H17BrN4/c1-3-4-10-13(16)17-8-18-14(10)19-12-6-5-9(2)7-11(12)15/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeyFENPCVNCIFYFQE-UHFFFAOYSA-N
XLogP3.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 55229482
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762346
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953
3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 80822866
6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
CID 63735436
4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine
CID 106761045
4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762856
4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80759282
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80736789

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine (CID 80768499) is 4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1Nc1ccc(C)cc1Br.
What is the InChIKey of 4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is FENPCVNCIFYFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-3-4-10-13(16)17-8-18-14(10)19-12-6-5-9(2)7-11(12)15/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine?
4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 321.22 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80768499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).