5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine

C14H18BrN3O — CID 104806787

IUPAC5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2occc2C)nc(C(C)(C)C)c1Br
InChIInChI=1S/C14H18BrN3O/c1-8-6-7-19-10(8)13-17-11(14(2,3)4)9(15)12(16-5)18-13/h6-7H,1-5H3,(H,16,17,18)
InChIKeyGTPTTWYJBQCWTL-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.15
Rot. Bonds2

About 5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine

5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine (PubChem CID 104806787) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
PubChem CID104806787
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2occc2C)nc(C(C)(C)C)c1Br
InChIInChI=1S/C14H18BrN3O/c1-8-6-7-19-10(8)13-17-11(14(2,3)4)9(15)12(16-5)18-13/h6-7H,1-5H3,(H,16,17,18)
InChIKeyGTPTTWYJBQCWTL-UHFFFAOYSA-N
XLogP4.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66305215
6-tert-butyl-N-ethyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806799
5-bromo-2-(4-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 66306418
5-bromo-6-tert-butyl-2-(4-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 81274493
5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine
CID 66305015
5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine
CID 66304825
5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine
CID 66304625
5-bromo-6-tert-butyl-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 66307006
N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine
CID 104846802
5-bromo-6-tert-butyl-2-(4-chloro-3-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66297317
5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104806898
N-methyl-2-(3-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 104806548

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine (CID 104806787) is 5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine is CNc1nc(-c2occc2C)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
The InChIKey is GTPTTWYJBQCWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-8-6-7-19-10(8)13-17-11(14(2,3)4)9(15)12(16-5)18-13/h6-7H,1-5H3,(H,16,17,18).
What are the key properties of 5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine has a molecular weight of 324.22 g/mol, XLogP of 4.15, 2 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-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 104806787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).