5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine

C14H24BrN3S — CID 66304640

IUPAC5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(CSC(C)C)nc(C(C)(C)C)c1Br
InChIInChI=1S/C14H24BrN3S/c1-7-16-13-11(15)12(14(4,5)6)17-10(18-13)8-19-9(2)3/h9H,7-8H2,1-6H3,(H,16,17,18)
InChIKeyAVEFKJMPDNAISN-UHFFFAOYSA-N
MW346.34 g/mol
LogP4.61
Rot. Bonds5

About 5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine

5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 66304640) has the molecular formula C14H24BrN3S and a molecular weight of 346.34 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
PubChem CID66304640
Molecular FormulaC14H24BrN3S
Molecular Weight346.34 g/mol
Exact Mass345.09
IUPAC Name5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(CSC(C)C)nc(C(C)(C)C)c1Br
InChIInChI=1S/C14H24BrN3S/c1-7-16-13-11(15)12(14(4,5)6)17-10(18-13)8-19-9(2)3/h9H,7-8H2,1-6H3,(H,16,17,18)
InChIKeyAVEFKJMPDNAISN-UHFFFAOYSA-N
XLogP4.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 54.61
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-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine
CID 106815295
5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine
CID 66307013
5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 66307413
6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 66305036
5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305162
5-bromo-6-tert-butyl-N-ethyl-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66306616
N-ethyl-5-iodo-6-phenyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 66305650
5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine
CID 107925707
5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 66298665
5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine
CID 66291926
5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 65131341

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine (CID 66304640) is 5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine is CCNc1nc(CSC(C)C)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is AVEFKJMPDNAISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3S/c1-7-16-13-11(15)12(14(4,5)6)17-10(18-13)8-19-9(2)3/h9H,7-8H2,1-6H3,(H,16,17,18).
What are the key properties of 5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine?
5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 346.34 g/mol, XLogP of 4.61, 5 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-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66304640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).