4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

C15H15BrN4S — CID 103326112

IUPAC4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NC(C)c3ccc(Br)cc3)nc(N)nc2s1
InChIInChI=1S/C15H15BrN4S/c1-8-7-12-13(19-15(17)20-14(12)21-8)18-9(2)10-3-5-11(16)6-4-10/h3-7,9H,1-2H3,(H3,17,18,19,20)
InChIKeyNBVVJUUAKGASFA-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.52
Rot. Bonds3

About 4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103326112) has the molecular formula C15H15BrN4S and a molecular weight of 363.28 g/mol. Its IUPAC name is 4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103326112
Molecular FormulaC15H15BrN4S
Molecular Weight363.28 g/mol
Exact Mass362.02
IUPAC Name4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NC(C)c3ccc(Br)cc3)nc(N)nc2s1
InChIInChI=1S/C15H15BrN4S/c1-8-7-12-13(19-15(17)20-14(12)21-8)18-9(2)10-3-5-11(16)6-4-10/h3-7,9H,1-2H3,(H3,17,18,19,20)
InChIKeyNBVVJUUAKGASFA-UHFFFAOYSA-N
XLogP4.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-(4-fluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326091
6-methyl-4-N-(1-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327402
6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328266
4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine
CID 80784422
2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45153512
6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327997
6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325883
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329700
6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327111
4-N-(1-cyclopentylethyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328103
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320629
6-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326002

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103326112) is 4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is Cc1cc2c(NC(C)c3ccc(Br)cc3)nc(N)nc2s1.
What is the InChIKey of 4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is NBVVJUUAKGASFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4S/c1-8-7-12-13(19-15(17)20-14(12)21-8)18-9(2)10-3-5-11(16)6-4-10/h3-7,9H,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 363.28 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103326112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).