5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine

C12H14BrN5 — CID 66306410

IUPAC5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2ccncn2)nc(N)c1Br
InChIInChI=1S/C12H14BrN5/c1-12(2,3)9-8(13)10(14)18-11(17-9)7-4-5-15-6-16-7/h4-6H,1-3H3,(H2,14,17,18)
InChIKeyJPAYJGDMKGJLIZ-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.58
Rot. Bonds1

About 5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine

5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine (PubChem CID 66306410) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine
PubChem CID66306410
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC Name5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2ccncn2)nc(N)c1Br
InChIInChI=1S/C12H14BrN5/c1-12(2,3)9-8(13)10(14)18-11(17-9)7-4-5-15-6-16-7/h4-6H,1-3H3,(H2,14,17,18)
InChIKeyJPAYJGDMKGJLIZ-UHFFFAOYSA-N
XLogP2.58
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 66307294
5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66304809
5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 63984854
5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine
CID 107504344
5-bromo-6-tert-butyl-2-(furan-3-yl)pyrimidin-4-amine
CID 66307204
5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 66306206
5-bromo-6-tert-butyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 66307405
5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 63988359
5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
CID 66297120
5-bromo-2-(4-bromo-3-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 81440655
5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 82801275
5-bromo-6-tert-butyl-2-(1,5-dimethylpyrazol-4-yl)pyrimidin-4-amine
CID 79584597

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine (CID 66306410) is 5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine is CC(C)(C)c1nc(-c2ccncn2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine?
The InChIKey is JPAYJGDMKGJLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c1-12(2,3)9-8(13)10(14)18-11(17-9)7-4-5-15-6-16-7/h4-6H,1-3H3,(H2,14,17,18).
What are the key properties of 5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine?
5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-pyrimidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 66306410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).