2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C11H11N5OS — CID 106424574

IUPAC2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2ccno2)c2ccsc2n1
InChIInChI=1S/C11H11N5OS/c1-12-11-15-9(8-3-5-18-10(8)16-11)13-6-7-2-4-14-17-7/h2-5H,6H2,1H3,(H2,12,13,15,16)
InChIKeyBGCVAJAOFJLBPP-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.33
Rot. Bonds4

About 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 106424574) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID106424574
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2ccno2)c2ccsc2n1
InChIInChI=1S/C11H11N5OS/c1-12-11-15-9(8-3-5-18-10(8)16-11)13-6-7-2-4-14-17-7/h2-5H,6H2,1H3,(H2,12,13,15,16)
InChIKeyBGCVAJAOFJLBPP-UHFFFAOYSA-N
XLogP2.33
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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)quinazoline-2,4-diamine
CID 106424669
4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328163
4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328357
4-N-[(3-fluorophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324466
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-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
2-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103333206
2-N-methyl-4-N-(2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323418
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

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 106424574) is 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NCc2ccno2)c2ccsc2n1.
What is the InChIKey of 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is BGCVAJAOFJLBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-12-11-15-9(8-3-5-18-10(8)16-11)13-6-7-2-4-14-17-7/h2-5H,6H2,1H3,(H2,12,13,15,16).
What are the key properties of 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 261.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 106424574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).