4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine

C15H21BrN4S — CID 106043263

IUPAC4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2ccc(Br)s2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H21BrN4S/c1-15(2,3)14-19-12(17-4)9-13(20-14)18-8-7-10-5-6-11(16)21-10/h5-6,9H,7-8H2,1-4H3,(H2,17,18,19,20)
InChIKeyWKBIBZQTEMNMEQ-UHFFFAOYSA-N
MW369.33 g/mol
LogP4.29
Rot. Bonds5

About 4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine

4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 106043263) has the molecular formula C15H21BrN4S and a molecular weight of 369.33 g/mol. Its IUPAC name is 4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID106043263
Molecular FormulaC15H21BrN4S
Molecular Weight369.33 g/mol
Exact Mass368.07
IUPAC Name4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2ccc(Br)s2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H21BrN4S/c1-15(2,3)14-19-12(17-4)9-13(20-14)18-8-7-10-5-6-11(16)21-10/h5-6,9H,7-8H2,1-4H3,(H2,17,18,19,20)
InChIKeyWKBIBZQTEMNMEQ-UHFFFAOYSA-N
XLogP4.29
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80960709
N-[2-(5-bromothiophen-2-yl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 106049003
4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine
CID 114139836
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine
CID 114140674
6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106043006
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 114139531
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 106050469
2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 80956546
N-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 80967857
2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine
CID 113480692
5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106043160
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 106042397

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine (CID 106043263) is 4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NCCc2ccc(Br)s2)nc(C(C)(C)C)n1.
What is the InChIKey of 4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is WKBIBZQTEMNMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4S/c1-15(2,3)14-19-12(17-4)9-13(20-14)18-8-7-10-5-6-11(16)21-10/h5-6,9H,7-8H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine?
4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 369.33 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 106043263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).