5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine

C10H15BrClN3 — CID 79076175

IUPAC5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine
SMILESCCCCCN(C)c1nc(Cl)ncc1Br
InChIInChI=1S/C10H15BrClN3/c1-3-4-5-6-15(2)9-8(11)7-13-10(12)14-9/h7H,3-6H2,1-2H3
InChIKeyICPKTXWHMYVERL-UHFFFAOYSA-N
MW292.61 g/mol
LogP3.52
Rot. Bonds5

About 5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine

5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine (PubChem CID 79076175) has the molecular formula C10H15BrClN3 and a molecular weight of 292.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine
PubChem CID79076175
Molecular FormulaC10H15BrClN3
Molecular Weight292.61 g/mol
Exact Mass291.01
IUPAC Name5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine
SMILESCCCCCN(C)c1nc(Cl)ncc1Br
InChIInChI=1S/C10H15BrClN3/c1-3-4-5-6-15(2)9-8(11)7-13-10(12)14-9/h7H,3-6H2,1-2H3
InChIKeyICPKTXWHMYVERL-UHFFFAOYSA-N
XLogP3.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.61
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine (CID 79076175) is 5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine is CCCCCN(C)c1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine?
The InChIKey is ICPKTXWHMYVERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3/c1-3-4-5-6-15(2)9-8(11)7-13-10(12)14-9/h7H,3-6H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine?
5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine has a molecular weight of 292.61 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine is sourced from PubChem (CID 79076175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).