5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine

C12H21BrN4 — CID 66307413

IUPAC5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)C)nc(C(C)(C)C)c1Br
InChIInChI=1S/C12H21BrN4/c1-7-14-10-8(13)9(12(2,3)4)15-11(16-10)17(5)6/h7H2,1-6H3,(H,14,15,16)
InChIKeyKOFFVXZQCITRMT-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.03
Rot. Bonds3

About 5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine

5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 66307413) has the molecular formula C12H21BrN4 and a molecular weight of 301.23 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID66307413
Molecular FormulaC12H21BrN4
Molecular Weight301.23 g/mol
Exact Mass300.09
IUPAC Name5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)C)nc(C(C)(C)C)c1Br
InChIInChI=1S/C12H21BrN4/c1-7-14-10-8(13)9(12(2,3)4)15-11(16-10)17(5)6/h7H2,1-6H3,(H,14,15,16)
InChIKeyKOFFVXZQCITRMT-UHFFFAOYSA-N
XLogP3.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 66307012
5-bromo-6-tert-butyl-N-ethyl-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66306616
4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine
CID 66305717
5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine
CID 107925707
5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine
CID 106815295
5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 66304640
5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine
CID 66307013
5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 66305425
5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine
CID 66305031
5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 66307213
5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
CID 66307616
5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-ethylpyrimidin-4-amine
CID 66306424

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 66307413) is 5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine is CCNc1nc(N(C)C)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is KOFFVXZQCITRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4/c1-7-14-10-8(13)9(12(2,3)4)15-11(16-10)17(5)6/h7H2,1-6H3,(H,14,15,16).
What are the key properties of 5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 301.23 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 66307413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).