N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine

C13H16BrN3S — CID 113234131

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCCc2ccc(Br)s2)ncn1
InChIInChI=1S/C13H16BrN3S/c1-9(2)11-7-13(17-8-16-11)15-6-5-10-3-4-12(14)18-10/h3-4,7-9H,5-6H2,1-2H3,(H,15,16,17)
InChIKeyCTULRDUSEVZBTA-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.08
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 113234131) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID113234131
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCCc2ccc(Br)s2)ncn1
InChIInChI=1S/C13H16BrN3S/c1-9(2)11-7-13(17-8-16-11)15-6-5-10-3-4-12(14)18-10/h3-4,7-9H,5-6H2,1-2H3,(H,15,16,17)
InChIKeyCTULRDUSEVZBTA-UHFFFAOYSA-N
XLogP4.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-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

N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61240171
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
6-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 61240928
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779
5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106043160
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240160
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine
CID 114140674
4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine
CID 106043263
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine
CID 114139836

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine (CID 113234131) is N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCCc2ccc(Br)s2)ncn1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is CTULRDUSEVZBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-9(2)11-7-13(17-8-16-11)15-6-5-10-3-4-12(14)18-10/h3-4,7-9H,5-6H2,1-2H3,(H,15,16,17).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 326.26 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 113234131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).