4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine

C15H19BrN4O — CID 80830476

IUPAC4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(Nc2ccc(OC)c(Br)c2)n1
InChIInChI=1S/C15H19BrN4O/c1-4-7-17-15-18-9-10(2)14(20-15)19-11-5-6-13(21-3)12(16)8-11/h5-6,8-9H,4,7H2,1-3H3,(H2,17,18,19,20)
InChIKeyGXDLCSZDZRWIPS-UHFFFAOYSA-N
MW351.25 g/mol
LogP4.12
Rot. Bonds6

About 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80830476) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80830476
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(Nc2ccc(OC)c(Br)c2)n1
InChIInChI=1S/C15H19BrN4O/c1-4-7-17-15-18-9-10(2)14(20-15)19-11-5-6-13(21-3)12(16)8-11/h5-6,8-9H,4,7H2,1-3H3,(H2,17,18,19,20)
InChIKeyGXDLCSZDZRWIPS-UHFFFAOYSA-N
XLogP4.12
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773425
4-N-(4-fluoro-3-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80824532
5-fluoro-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773415
2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80829938
4-N-(3-bromo-4-fluorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 104781958
5-chloro-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773272
5-bromo-4-N-(5-bromo-2-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80785165
4-N-(4-bromo-3-fluorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80843555
4-N-(2-fluoro-5-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80838232
4-N-(3-chloro-4-methoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80762990
5-bromo-4-N-(3-chloro-4-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80755640
4-N-(4-bromo-3-methoxyphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 82862437

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80830476) is 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(C)c(Nc2ccc(OC)c(Br)c2)n1.
What is the InChIKey of 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is GXDLCSZDZRWIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-4-7-17-15-18-9-10(2)14(20-15)19-11-5-6-13(21-3)12(16)8-11/h5-6,8-9H,4,7H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 351.25 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80830476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).