6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine

C14H17BrN4 — CID 116796989

IUPAC6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)c1ccccc1Nc1nc(N)cc(Br)n1
InChIInChI=1S/C14H17BrN4/c1-14(2,3)9-6-4-5-7-10(9)17-13-18-11(15)8-12(16)19-13/h4-8H,1-3H3,(H3,16,17,18,19)
InChIKeyLBVNONWVPLRCIO-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.86
Rot. Bonds2

About 6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine

6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine (PubChem CID 116796989) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine
PubChem CID116796989
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)c1ccccc1Nc1nc(N)cc(Br)n1
InChIInChI=1S/C14H17BrN4/c1-14(2,3)9-6-4-5-7-10(9)17-13-18-11(15)8-12(16)19-13/h4-8H,1-3H3,(H3,16,17,18,19)
InChIKeyLBVNONWVPLRCIO-UHFFFAOYSA-N
XLogP3.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 116796734
6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 116797046
6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796334
4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 80836348
6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 116795404
6-bromo-2-N-methylpyrimidine-2,4-diamine
CID 116795396
5-bromo-4-N-(2-tert-butylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80822328
6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine
CID 116797337
6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 116796810
2-[(4-amino-6-bromopyrimidin-2-yl)amino]-4-bromobenzonitrile
CID 107801678
6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine
CID 116796223
6-bromo-2-N-pent-4-yn-2-ylpyrimidine-2,4-diamine
CID 116797399

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine (CID 116796989) is 6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine is CC(C)(C)c1ccccc1Nc1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine?
The InChIKey is LBVNONWVPLRCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-14(2,3)9-6-4-5-7-10(9)17-13-18-11(15)8-12(16)19-13/h4-8H,1-3H3,(H3,16,17,18,19).
What are the key properties of 6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine?
6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine has a molecular weight of 321.22 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116796989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).