5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine

C10H16BrN3 — CID 130654167

IUPAC5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine
SMILESCc1ncc(Br)c(N(C)C(C)(C)C)n1
InChIInChI=1S/C10H16BrN3/c1-7-12-6-8(11)9(13-7)14(5)10(2,3)4/h6H,1-5H3
InChIKeyKBZARHKUVWSPNX-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.78
Rot. Bonds1

About 5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine

5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine (PubChem CID 130654167) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine
PubChem CID130654167
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine
SMILESCc1ncc(Br)c(N(C)C(C)(C)C)n1
InChIInChI=1S/C10H16BrN3/c1-7-12-6-8(11)9(13-7)14(5)10(2,3)4/h6H,1-5H3
InChIKeyKBZARHKUVWSPNX-UHFFFAOYSA-N
XLogP2.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine
CID 130639014
1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
CID 83844357
5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine
CID 115147028
5-bromo-N-tert-butyl-N,3-dimethylpyridin-2-amine
CID 115148475
5-bromo-2,4-dimethylpyrimidine;ethane
CID 155723230
5-bromo-N,2-dimethyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 83844947
5-bromo-4-ethyl-2-methylpyrimidine;ethane
CID 162730245
(5-bromo-2-methylpyrimidin-4-yl)methanamine
CID 82506310
5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine
CID 131123171
1-(5-bromo-2-methylpyrimidin-4-yl)ethanone
CID 83886527
5-bromo-2-methyl-4-(1H-pyrrol-3-yl)pyrimidine
CID 96590663
N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine
CID 130993339

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine (CID 130654167) is 5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine is Cc1ncc(Br)c(N(C)C(C)(C)C)n1.
What is the InChIKey of 5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine?
The InChIKey is KBZARHKUVWSPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-7-12-6-8(11)9(13-7)14(5)10(2,3)4/h6H,1-5H3.
What are the key properties of 5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine?
5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine has a molecular weight of 258.16 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 130654167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).