N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine

C10H11BrN4S — CID 107355309

IUPACN'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nccc(-c2cc(Br)cs2)n1
InChIInChI=1S/C10H11BrN4S/c11-7-5-9(16-6-7)8-1-3-13-10(15-8)14-4-2-12/h1,3,5-6H,2,4,12H2,(H,13,14,15)
InChIKeyWKWOREUQVYJNLW-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.34
Rot. Bonds4

About N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine

N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 107355309) has the molecular formula C10H11BrN4S and a molecular weight of 299.20 g/mol. Its IUPAC name is N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID107355309
Molecular FormulaC10H11BrN4S
Molecular Weight299.20 g/mol
Exact Mass297.99
IUPAC NameN'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nccc(-c2cc(Br)cs2)n1
InChIInChI=1S/C10H11BrN4S/c11-7-5-9(16-6-7)8-1-3-13-10(15-8)14-4-2-12/h1,3,5-6H,2,4,12H2,(H,13,14,15)
InChIKeyWKWOREUQVYJNLW-UHFFFAOYSA-N
XLogP2.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine
CID 117224357
[1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902686
[3-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]oxetan-3-yl]methanamine
CID 116902971
1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine
CID 116903564
4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid
CID 116899757
2-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid
CID 82490190
2-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]-N-methylbutan-1-amine
CID 116903422
N'-(4-bromopyrimidin-2-yl)propane-1,3-diamine
CID 117224384
N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 103278920
N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 103278875
N'-(4-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 117224364
methyl 3-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]propanoate
CID 116901318

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine (CID 107355309) is N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine is NCCNc1nccc(-c2cc(Br)cs2)n1.
What is the InChIKey of N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is WKWOREUQVYJNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4S/c11-7-5-9(16-6-7)8-1-3-13-10(15-8)14-4-2-12/h1,3,5-6H,2,4,12H2,(H,13,14,15).
What are the key properties of N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine?
N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 299.20 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 107355309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).