N-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine

C9H8BrN3S — CID 130986276

IUPACN-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine
SMILESC=C(Br)CNc1ncc2sccc2n1
InChIInChI=1S/C9H8BrN3S/c1-6(10)4-11-9-12-5-8-7(13-9)2-3-14-8/h2-3,5H,1,4H2,(H,11,12,13)
InChIKeyYLHLPCFVMQNLEG-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.01
Rot. Bonds3

About N-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine

N-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 130986276) has the molecular formula C9H8BrN3S and a molecular weight of 270.16 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID130986276
Molecular FormulaC9H8BrN3S
Molecular Weight270.16 g/mol
Exact Mass268.96
IUPAC NameN-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine
SMILESC=C(Br)CNc1ncc2sccc2n1
InChIInChI=1S/C9H8BrN3S/c1-6(10)4-11-9-12-5-8-7(13-9)2-3-14-8/h2-3,5H,1,4H2,(H,11,12,13)
InChIKeyYLHLPCFVMQNLEG-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine
CID 155032361
N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine
CID 163723742
2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
CID 115717289
2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine
CID 116797364
N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
CID 91801780
N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine
CID 166395521
1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine
CID 141314561
2-fluorothieno[3,2-d]pyrimidine
CID 155821803
thieno[3,2-d]pyrimidin-2-ylmethanamine
CID 82414555
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[3,2-d]pyrimidin-2-amine
CID 151602434
N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine
CID 115594943
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-amine
CID 141299425

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine (CID 130986276) is N-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine is C=C(Br)CNc1ncc2sccc2n1.
What is the InChIKey of N-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is YLHLPCFVMQNLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3S/c1-6(10)4-11-9-12-5-8-7(13-9)2-3-14-8/h2-3,5H,1,4H2,(H,11,12,13).
What are the key properties of N-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine?
N-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 270.16 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 130986276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).