6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine

C13H15BrN4 — CID 116797337

IUPAC6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine
SMILESCC(CNc1nc(N)cc(Br)n1)c1ccccc1
InChIInChI=1S/C13H15BrN4/c1-9(10-5-3-2-4-6-10)8-16-13-17-11(14)7-12(15)18-13/h2-7,9H,8H2,1H3,(H3,15,16,17,18)
InChIKeyLTMXNTQNGRVZDO-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.04
Rot. Bonds4

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

6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 116797337) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID116797337
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine
SMILESCC(CNc1nc(N)cc(Br)n1)c1ccccc1
InChIInChI=1S/C13H15BrN4/c1-9(10-5-3-2-4-6-10)8-16-13-17-11(14)7-12(15)18-13/h2-7,9H,8H2,1H3,(H3,15,16,17,18)
InChIKeyLTMXNTQNGRVZDO-UHFFFAOYSA-N
XLogP3.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 116795404
1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol
CID 116795491
6-bromo-2-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
CID 116797393
4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol
CID 116796030
4-N-ethyl-6-methoxy-2-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine
CID 104592515
2-cyclopropyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592592
4-N-(2-phenylpropyl)pyridine-2,4-diamine
CID 104592493
N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204477
5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 113430182
8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 104591764
3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104591278
5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine
CID 112696400

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine (CID 116797337) is 6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine is CC(CNc1nc(N)cc(Br)n1)c1ccccc1.
What is the InChIKey of 6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is LTMXNTQNGRVZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-9(10-5-3-2-4-6-10)8-16-13-17-11(14)7-12(15)18-13/h2-7,9H,8H2,1H3,(H3,15,16,17,18).
What are the key properties of 6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine?
6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 307.20 g/mol, XLogP of 3.04, 4 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-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116797337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).