5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine

C13H18BrN5 — CID 103570523

IUPAC5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cnn(CC)c2)nc(C)c1Br
InChIInChI=1S/C13H18BrN5/c1-4-6-15-13-11(14)9(3)17-12(18-13)10-7-16-19(5-2)8-10/h7-8H,4-6H2,1-3H3,(H,15,17,18)
InChIKeyJFGLDFAJHDEVQY-UHFFFAOYSA-N
MW324.23 g/mol
LogP3.25
Rot. Bonds5

About 5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine

5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 103570523) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is 5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID103570523
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cnn(CC)c2)nc(C)c1Br
InChIInChI=1S/C13H18BrN5/c1-4-6-15-13-11(14)9(3)17-12(18-13)10-7-16-19(5-2)8-10/h7-8H,4-6H2,1-3H3,(H,15,17,18)
InChIKeyJFGLDFAJHDEVQY-UHFFFAOYSA-N
XLogP3.25
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine
CID 103570148
5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106849549
5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66295533
5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66304892
5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 81311702
2-(1-ethylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 103570486
N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 103570534
5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66304687
5-bromo-6-methyl-2-(6-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 66305685
5-bromo-6-methyl-N,2-dipropylpyrimidin-4-amine
CID 66307676
5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66296687
5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 79971925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine (CID 103570523) is 5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cnn(CC)c2)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is JFGLDFAJHDEVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-4-6-15-13-11(14)9(3)17-12(18-13)10-7-16-19(5-2)8-10/h7-8H,4-6H2,1-3H3,(H,15,17,18).
What are the key properties of 5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine?
5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 324.23 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 103570523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).