4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

C12H11ClN4S2 — CID 103328163

IUPAC4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2ccc(Cl)s2)c2ccsc2n1
InChIInChI=1S/C12H11ClN4S2/c1-14-12-16-10(8-4-5-18-11(8)17-12)15-6-7-2-3-9(13)19-7/h2-5H,6H2,1H3,(H2,14,15,16,17)
InChIKeyOHVKIGHLKDKEST-UHFFFAOYSA-N
MW310.84 g/mol
LogP4.06
Rot. Bonds4

About 4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328163) has the molecular formula C12H11ClN4S2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328163
Molecular FormulaC12H11ClN4S2
Molecular Weight310.84 g/mol
Exact Mass310.01
IUPAC Name4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2ccc(Cl)s2)c2ccsc2n1
InChIInChI=1S/C12H11ClN4S2/c1-14-12-16-10(8-4-5-18-11(8)17-12)15-6-7-2-3-9(13)19-7/h2-5H,6H2,1H3,(H2,14,15,16,17)
InChIKeyOHVKIGHLKDKEST-UHFFFAOYSA-N
XLogP4.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324522
2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106424574
4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328357
4-N-[(2-bromophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325539
2-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326941
4-N-[(3-fluorophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324466
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
2-N-methyl-4-N-(2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323418
4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106015430
methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103324325
5-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 106138174
3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103328737

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103328163) is 4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NCc2ccc(Cl)s2)c2ccsc2n1.
What is the InChIKey of 4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OHVKIGHLKDKEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S2/c1-14-12-16-10(8-4-5-18-11(8)17-12)15-6-7-2-3-9(13)19-7/h2-5H,6H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 310.84 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).