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

C12H16N4S2 — CID 103329130

IUPAC2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCC2CCCS2)c2ccsc2n1
InChIInChI=1S/C12H16N4S2/c1-13-12-15-10(9-4-6-18-11(9)16-12)14-7-8-3-2-5-17-8/h4,6,8H,2-3,5,7H2,1H3,(H2,13,14,15,16)
InChIKeyNRGHZQRIQIEZLL-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.04
Rot. Bonds4

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

2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329130) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329130
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC Name2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCC2CCCS2)c2ccsc2n1
InChIInChI=1S/C12H16N4S2/c1-13-12-15-10(9-4-6-18-11(9)16-12)14-7-8-3-2-5-17-8/h4,6,8H,2-3,5,7H2,1H3,(H2,13,14,15,16)
InChIKeyNRGHZQRIQIEZLL-UHFFFAOYSA-N
XLogP3.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1,4-dithian-2-ylmethyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330218
2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334708
[2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103328659
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324409
3-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137981
2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327381
5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 103328237
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324522
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 103325098
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

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103329130) is 2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NCC2CCCS2)c2ccsc2n1.
What is the InChIKey of 2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is NRGHZQRIQIEZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-13-12-15-10(9-4-6-18-11(9)16-12)14-7-8-3-2-5-17-8/h4,6,8H,2-3,5,7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 280.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).