5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine

C11H17BrClN3 — CID 79470259

IUPAC5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
SMILESCCC(C)CN(CC)c1nc(Cl)ncc1Br
InChIInChI=1S/C11H17BrClN3/c1-4-8(3)7-16(5-2)10-9(12)6-14-11(13)15-10/h6,8H,4-5,7H2,1-3H3
InChIKeyNCVFPKNMMMXLRK-UHFFFAOYSA-N
MW306.64 g/mol
LogP3.76
Rot. Bonds5

About 5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine

5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine (PubChem CID 79470259) has the molecular formula C11H17BrClN3 and a molecular weight of 306.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
PubChem CID79470259
Molecular FormulaC11H17BrClN3
Molecular Weight306.64 g/mol
Exact Mass305.03
IUPAC Name5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
SMILESCCC(C)CN(CC)c1nc(Cl)ncc1Br
InChIInChI=1S/C11H17BrClN3/c1-4-8(3)7-16(5-2)10-9(12)6-14-11(13)15-10/h6,8H,4-5,7H2,1-3H3
InChIKeyNCVFPKNMMMXLRK-UHFFFAOYSA-N
XLogP3.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.64
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
CID 79491057
5-bromo-N,N-dibutyl-2-chloropyrimidin-4-amine
CID 79076460
5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine
CID 112663144
5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 133356912
5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine
CID 79478026
3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine
CID 79470519
5-bromo-2-chloro-N-(4-methylhexan-2-yl)pyrimidin-4-amine
CID 79072826
2-[(5-bromo-2-chloropyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 79073261
5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine
CID 79076587
5-bromo-2-chloro-N-methyl-N-pentylpyrimidin-4-amine
CID 79076175
4-(chloromethyl)-N-ethyl-N-(2-methylbutyl)isoquinolin-1-amine
CID 106769248
4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine
CID 79470782

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine (CID 79470259) is 5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine is CCC(C)CN(CC)c1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine?
The InChIKey is NCVFPKNMMMXLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrClN3/c1-4-8(3)7-16(5-2)10-9(12)6-14-11(13)15-10/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-4-amine has a molecular weight of 306.64 g/mol, XLogP of 3.76, 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-ethyl-N-(2-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 79470259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).