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

C15H15ClN4S — CID 103327305

IUPAC4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2cccc(Cl)c2)c2ccsc2n1
InChIInChI=1S/C15H15ClN4S/c1-2-17-15-19-13(12-6-7-21-14(12)20-15)18-9-10-4-3-5-11(16)8-10/h3-8H,2,9H2,1H3,(H2,17,18,19,20)
InChIKeyUKCRAGZHFSZJRI-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.39
Rot. Bonds5

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

4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327305) has the molecular formula C15H15ClN4S and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327305
Molecular FormulaC15H15ClN4S
Molecular Weight318.83 g/mol
Exact Mass318.07
IUPAC Name4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2cccc(Cl)c2)c2ccsc2n1
InChIInChI=1S/C15H15ClN4S/c1-2-17-15-19-13(12-6-7-21-14(12)20-15)18-9-10-4-3-5-11(16)8-10/h3-8H,2,9H2,1H3,(H2,17,18,19,20)
InChIKeyUKCRAGZHFSZJRI-UHFFFAOYSA-N
XLogP4.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324453
4-N-[(3-fluorophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324466
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
4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329248
[3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197100
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320788
2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411915
4-N-(3-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329001

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103327305) is 4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NCc2cccc(Cl)c2)c2ccsc2n1.
What is the InChIKey of 4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is UKCRAGZHFSZJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S/c1-2-17-15-19-13(12-6-7-21-14(12)20-15)18-9-10-4-3-5-11(16)8-10/h3-8H,2,9H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 318.83 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).