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

C16H20BrN3O — CID 13075475

IUPAC6-bromo-5-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine
SMILESCCCc1ccccc1OCCNc1ncnc(Br)c1C
InChIInChI=1S/C16H20BrN3O/c1-3-6-13-7-4-5-8-14(13)21-10-9-18-16-12(2)15(17)19-11-20-16/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,19,20)
InChIKeyKGDMNKCDYMWKTD-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.99
Rot. Bonds7

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

6-bromo-5-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine (PubChem CID 13075475) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-bromo-5-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-5-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine
PubChem CID13075475
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name6-bromo-5-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine
SMILESCCCc1ccccc1OCCNc1ncnc(Br)c1C
InChIInChI=1S/C16H20BrN3O/c1-3-6-13-7-4-5-8-14(13)21-10-9-18-16-12(2)15(17)19-11-20-16/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,19,20)
InChIKeyKGDMNKCDYMWKTD-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-bromo-5-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine (CID 13075475) is 6-bromo-5-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-5-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-5-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine is CCCc1ccccc1OCCNc1ncnc(Br)c1C.
What is the InChIKey of 6-bromo-5-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine?
The InChIKey is KGDMNKCDYMWKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-6-13-7-4-5-8-14(13)21-10-9-18-16-12(2)15(17)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 6-bromo-5-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine?
6-bromo-5-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 6-bromo-5-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 13075475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).