4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine

C10H12BrN5S — CID 114139836

IUPAC4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine
SMILESNc1cc(NCCc2ccc(Br)s2)nc(N)n1
InChIInChI=1S/C10H12BrN5S/c11-7-2-1-6(17-7)3-4-14-9-5-8(12)15-10(13)16-9/h1-2,5H,3-4H2,(H5,12,13,14,15,16)
InChIKeyFCEJOSNJZMCGOJ-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.12
Rot. Bonds4

About 4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine

4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine (PubChem CID 114139836) has the molecular formula C10H12BrN5S and a molecular weight of 314.21 g/mol. Its IUPAC name is 4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine
PubChem CID114139836
Molecular FormulaC10H12BrN5S
Molecular Weight314.21 g/mol
Exact Mass313.00
IUPAC Name4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine
SMILESNc1cc(NCCc2ccc(Br)s2)nc(N)n1
InChIInChI=1S/C10H12BrN5S/c11-7-2-1-6(17-7)3-4-14-9-5-8(12)15-10(13)16-9/h1-2,5H,3-4H2,(H5,12,13,14,15,16)
InChIKeyFCEJOSNJZMCGOJ-UHFFFAOYSA-N
XLogP2.12
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106043006
4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine
CID 106043263
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 114139531
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 106044018
1-N-[2-(5-bromothiophen-2-yl)ethyl]-4-chlorobenzene-1,2-diamine
CID 106037358
4-N-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565194
4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80959171
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-4-nitropyridin-2-amine
CID 114139533
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672
6-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbothioamide
CID 106036602
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine
CID 114140674
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine
CID 106044050

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine (CID 114139836) is 4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine is Nc1cc(NCCc2ccc(Br)s2)nc(N)n1.
What is the InChIKey of 4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine?
The InChIKey is FCEJOSNJZMCGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5S/c11-7-2-1-6(17-7)3-4-14-9-5-8(12)15-10(13)16-9/h1-2,5H,3-4H2,(H5,12,13,14,15,16).
What are the key properties of 4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine?
4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine has a molecular weight of 314.21 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 114139836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).