4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine

C15H15BrN4S — CID 103325532

IUPAC4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCc3cccc(Br)c3)nc(N)nc2s1
InChIInChI=1S/C15H15BrN4S/c1-2-11-7-12-13(19-15(17)20-14(12)21-11)18-8-9-4-3-5-10(16)6-9/h3-7H,2,8H2,1H3,(H3,17,18,19,20)
InChIKeyZODCYUGVEROOCI-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.21
Rot. Bonds4

About 4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325532) has the molecular formula C15H15BrN4S and a molecular weight of 363.28 g/mol. Its IUPAC name is 4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325532
Molecular FormulaC15H15BrN4S
Molecular Weight363.28 g/mol
Exact Mass362.02
IUPAC Name4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCc3cccc(Br)c3)nc(N)nc2s1
InChIInChI=1S/C15H15BrN4S/c1-2-11-7-12-13(19-15(17)20-14(12)21-11)18-8-9-4-3-5-10(16)6-9/h3-7H,2,8H2,1H3,(H3,17,18,19,20)
InChIKeyZODCYUGVEROOCI-UHFFFAOYSA-N
XLogP4.21
TPSA63.83 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 ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
6-ethyl-4-N-(furan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330480
6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327265
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
6-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411895
N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320817
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125
1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103324846
6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330088
4-N-(2-bromo-5-methylphenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329440
4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323311

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103325532) is 4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NCc3cccc(Br)c3)nc(N)nc2s1.
What is the InChIKey of 4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is ZODCYUGVEROOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4S/c1-2-11-7-12-13(19-15(17)20-14(12)21-11)18-8-9-4-3-5-10(16)6-9/h3-7H,2,8H2,1H3,(H3,17,18,19,20).
What are the key properties of 4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 363.28 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).