5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine

C12H15BrN4S — CID 80807481

IUPAC5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)C(Nc1nc(N)ncc1Br)c1cccs1
InChIInChI=1S/C12H15BrN4S/c1-7(2)10(9-4-3-5-18-9)16-11-8(13)6-15-12(14)17-11/h3-7,10H,1-2H3,(H3,14,15,16,17)
InChIKeyQTLJWONESCIOAM-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.69
Rot. Bonds4

About 5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine

5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine (PubChem CID 80807481) has the molecular formula C12H15BrN4S and a molecular weight of 327.25 g/mol. Its IUPAC name is 5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
PubChem CID80807481
Molecular FormulaC12H15BrN4S
Molecular Weight327.25 g/mol
Exact Mass326.02
IUPAC Name5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)C(Nc1nc(N)ncc1Br)c1cccs1
InChIInChI=1S/C12H15BrN4S/c1-7(2)10(9-4-3-5-18-9)16-11-8(13)6-15-12(14)17-11/h3-7,10H,1-2H3,(H3,14,15,16,17)
InChIKeyQTLJWONESCIOAM-UHFFFAOYSA-N
XLogP3.69
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807669
5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80906692
3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 62477928
5-bromo-4-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80800412
6-hydrazinyl-2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80904535
6-hydrazinyl-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80901918
3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine
CID 104776944
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80802259
5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
CID 103467928
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617
3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358212
5-fluoro-2-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807251

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine (CID 80807481) is 5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine is CC(C)C(Nc1nc(N)ncc1Br)c1cccs1.
What is the InChIKey of 5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
The InChIKey is QTLJWONESCIOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4S/c1-7(2)10(9-4-3-5-18-9)16-11-8(13)6-15-12(14)17-11/h3-7,10H,1-2H3,(H3,14,15,16,17).
What are the key properties of 5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine has a molecular weight of 327.25 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80807481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).