5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine

C16H20BrN3O — CID 13075408

IUPAC5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine
SMILESCCCc1ccccc1OCCNc1ncnc(C)c1Br
InChIInChI=1S/C16H20BrN3O/c1-3-6-13-7-4-5-8-14(13)21-10-9-18-16-15(17)12(2)19-11-20-16/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,19,20)
InChIKeyHBGRTHIFHDBBSV-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.99
Rot. Bonds7

About 5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine

5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine (PubChem CID 13075408) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine
PubChem CID13075408
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine
SMILESCCCc1ccccc1OCCNc1ncnc(C)c1Br
InChIInChI=1S/C16H20BrN3O/c1-3-6-13-7-4-5-8-14(13)21-10-9-18-16-15(17)12(2)19-11-20-16/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,19,20)
InChIKeyHBGRTHIFHDBBSV-UHFFFAOYSA-N
XLogP3.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-methyl-N-[2-(2-methyl-4-propan-2-ylphenoxy)ethyl]pyrimidin-4-amine
CID 13075416
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106262696
6-bromo-5-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrimidin-4-amine
CID 13075477
6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine
CID 13075482
5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 106262742
6-chloro-5-ethyl-N-[2-(2-prop-2-enylphenoxy)ethyl]pyrimidin-4-amine
CID 13075485
5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 114072528
ethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine
CID 142266126
5-chloro-N-[2-(2-hexyl-6-methylphenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 13075403
5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
CID 114071942
5-bromo-6-phenyl-N-propylpyrimidin-4-amine
CID 66294940
5-chloro-N-[2-(2-ethyl-4-propan-2-ylphenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 15588061

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine (CID 13075408) is 5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine is CCCc1ccccc1OCCNc1ncnc(C)c1Br.
What is the InChIKey of 5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine?
The InChIKey is HBGRTHIFHDBBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-6-13-7-4-5-8-14(13)21-10-9-18-16-15(17)12(2)19-11-20-16/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine?
5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 13075408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).