5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine

C11H18BrN3 — CID 66307395

IUPAC5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(Br)c(C(C)(C)C)n1
InChIInChI=1S/C11H18BrN3/c1-5-6-7-14-9(11(2,3)4)8(12)10(13)15-7/h5-6H2,1-4H3,(H2,13,14,15)
InChIKeyIZQQZOTYTUUDNI-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.07
Rot. Bonds2

About 5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine

5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine (PubChem CID 66307395) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine
PubChem CID66307395
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(Br)c(C(C)(C)C)n1
InChIInChI=1S/C11H18BrN3/c1-5-6-7-14-9(11(2,3)4)8(12)10(13)15-7/h5-6H2,1-4H3,(H2,13,14,15)
InChIKeyIZQQZOTYTUUDNI-UHFFFAOYSA-N
XLogP3.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine
CID 106815293
5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine
CID 79088166
5-bromo-6-tert-butyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66305009
5-bromo-6-tert-butyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987845
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-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
CID 106815296
5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine
CID 66295384
6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80977843
5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
CID 66297120
6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine
CID 66299026
5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine
CID 66307600

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine (CID 66307395) is 5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(Br)c(C(C)(C)C)n1.
What is the InChIKey of 5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine?
The InChIKey is IZQQZOTYTUUDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-5-6-7-14-9(11(2,3)4)8(12)10(13)15-7/h5-6H2,1-4H3,(H2,13,14,15).
What are the key properties of 5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine?
5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine has a molecular weight of 272.19 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 66307395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).