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

C14H16BrFN4O — CID 80773425

IUPAC5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(Nc2ccc(OC)c(F)c2)n1
InChIInChI=1S/C14H16BrFN4O/c1-3-6-17-14-18-8-10(15)13(20-14)19-9-4-5-12(21-2)11(16)7-9/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyMVBVGIOXYAXPHE-UHFFFAOYSA-N
MW355.21 g/mol
LogP3.95
Rot. Bonds6

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

5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80773425) has the molecular formula C14H16BrFN4O and a molecular weight of 355.21 g/mol. Its IUPAC name is 5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80773425
Molecular FormulaC14H16BrFN4O
Molecular Weight355.21 g/mol
Exact Mass354.05
IUPAC Name5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(Nc2ccc(OC)c(F)c2)n1
InChIInChI=1S/C14H16BrFN4O/c1-3-6-17-14-18-8-10(15)13(20-14)19-9-4-5-12(21-2)11(16)7-9/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyMVBVGIOXYAXPHE-UHFFFAOYSA-N
XLogP3.95
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773415
5-chloro-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773272
5-bromo-4-N-(3-chloro-4-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80755640
4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80830476
5-bromo-4-N-(5-bromo-2-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80785165
4-N-(3-bromo-4-fluorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 104781958
5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66295682
5-bromo-4-N-(4-bromo-2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107608351
5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80862949
5-bromo-4-N-(5-fluoro-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80761631
3,5-dibromo-N-(3-fluoro-4-methoxyphenyl)pyridin-2-amine
CID 113413794
4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80737026

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine (CID 80773425) is 5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Br)c(Nc2ccc(OC)c(F)c2)n1.
What is the InChIKey of 5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is MVBVGIOXYAXPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN4O/c1-3-6-17-14-18-8-10(15)13(20-14)19-9-4-5-12(21-2)11(16)7-9/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine?
5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 355.21 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80773425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).