4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine

C15H15BrN4S — CID 103325268

IUPAC4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cc(Br)ccc2C)c2ccsc2n1
InChIInChI=1S/C15H15BrN4S/c1-3-17-15-19-13(11-6-7-21-14(11)20-15)18-12-8-10(16)5-4-9(12)2/h4-8H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyQQALTJYVNLRQMS-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.94
Rot. Bonds4

About 4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325268) has the molecular formula C15H15BrN4S and a molecular weight of 363.28 g/mol. Its IUPAC name is 4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325268
Molecular FormulaC15H15BrN4S
Molecular Weight363.28 g/mol
Exact Mass362.02
IUPAC Name4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cc(Br)ccc2C)c2ccsc2n1
InChIInChI=1S/C15H15BrN4S/c1-3-17-15-19-13(11-6-7-21-14(11)20-15)18-12-8-10(16)5-4-9(12)2/h4-8H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyQQALTJYVNLRQMS-UHFFFAOYSA-N
XLogP4.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323599
4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329248
4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 107287415
4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330800
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80788736
4-N-(3-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329001
N-(4-bromo-2-ethylphenyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335460
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329049
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320957

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103325268) is 4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(Nc2cc(Br)ccc2C)c2ccsc2n1.
What is the InChIKey of 4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QQALTJYVNLRQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4S/c1-3-17-15-19-13(11-6-7-21-14(11)20-15)18-12-8-10(16)5-4-9(12)2/h4-8H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 363.28 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).