2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine

C15H18BrN3O2 — CID 62202434

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2cc(OC)c(OC)cc2Br)n1
InChIInChI=1S/C15H18BrN3O2/c1-4-6-17-14-5-7-18-15(19-14)10-8-12(20-2)13(21-3)9-11(10)16/h5,7-9H,4,6H2,1-3H3,(H,17,18,19)
InChIKeyYAMZYXTUZFQBOK-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.75
Rot. Bonds6

About 2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine

2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine (PubChem CID 62202434) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine
PubChem CID62202434
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2cc(OC)c(OC)cc2Br)n1
InChIInChI=1S/C15H18BrN3O2/c1-4-6-17-14-5-7-18-15(19-14)10-8-12(20-2)13(21-3)9-11(10)16/h5,7-9H,4,6H2,1-3H3,(H,17,18,19)
InChIKeyYAMZYXTUZFQBOK-UHFFFAOYSA-N
XLogP3.75
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 62191848
2-(3-bromophenyl)-N-propylpyrimidin-4-amine
CID 55135437
2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine
CID 106889197
2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 114330961
2-naphthalen-2-yl-N-propylpyrimidin-4-amine
CID 62202615
N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62201721
2-(2-bromophenyl)-N-ethylpyrimidin-4-amine
CID 62190265
2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881863
2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine
CID 65022574
2-(5-methylthiophen-2-yl)-N-propylpyrimidin-4-amine
CID 62203140
2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine
CID 62699425
[2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine
CID 62250376

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine (CID 62202434) is 2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine is CCCNc1ccnc(-c2cc(OC)c(OC)cc2Br)n1.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is YAMZYXTUZFQBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-4-6-17-14-5-7-18-15(19-14)10-8-12(20-2)13(21-3)9-11(10)16/h5,7-9H,4,6H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine?
2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 352.23 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62202434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).