5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine

C11H19BrN4 — CID 79088166

IUPAC5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine
SMILESCN(C)Cc1nc(N)c(Br)c(C(C)(C)C)n1
InChIInChI=1S/C11H19BrN4/c1-11(2,3)9-8(12)10(13)15-7(14-9)6-16(4)5/h6H2,1-5H3,(H2,13,14,15)
InChIKeyJNNNDSLWCMTGSW-UHFFFAOYSA-N
MW287.21 g/mol
LogP2.18
Rot. Bonds2

About 5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine

5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine (PubChem CID 79088166) has the molecular formula C11H19BrN4 and a molecular weight of 287.21 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine
PubChem CID79088166
Molecular FormulaC11H19BrN4
Molecular Weight287.21 g/mol
Exact Mass286.08
IUPAC Name5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine
SMILESCN(C)Cc1nc(N)c(Br)c(C(C)(C)C)n1
InChIInChI=1S/C11H19BrN4/c1-11(2,3)9-8(12)10(13)15-7(14-9)6-16(4)5/h6H2,1-5H3,(H2,13,14,15)
InChIKeyJNNNDSLWCMTGSW-UHFFFAOYSA-N
XLogP2.18
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine (CID 79088166) is 5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine is CN(C)Cc1nc(N)c(Br)c(C(C)(C)C)n1.
What is the InChIKey of 5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine?
The InChIKey is JNNNDSLWCMTGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-11(2,3)9-8(12)10(13)15-7(14-9)6-16(4)5/h6H2,1-5H3,(H2,13,14,15).
What are the key properties of 5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine?
5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine has a molecular weight of 287.21 g/mol, XLogP of 2.18, 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-2-[(dimethylamino)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79088166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).