4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

C12H16N4OS — CID 103330589

IUPAC4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)nc2sccc12)C1CCOC1
InChIInChI=1S/C12H16N4OS/c1-7(8-2-4-17-6-8)14-10-9-3-5-18-11(9)16-12(13)15-10/h3,5,7-8H,2,4,6H2,1H3,(H3,13,14,15,16)
InChIKeyXIHVZYJOLLGZHF-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.11
Rot. Bonds3

About 4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330589) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330589
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)nc2sccc12)C1CCOC1
InChIInChI=1S/C12H16N4OS/c1-7(8-2-4-17-6-8)14-10-9-3-5-18-11(9)16-12(13)15-10/h3,5,7-8H,2,4,6H2,1H3,(H3,13,14,15,16)
InChIKeyXIHVZYJOLLGZHF-UHFFFAOYSA-N
XLogP2.11
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 103329768
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103325001
4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325226
4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328271
4-N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324894
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
4-N-(1-cyclopentylethyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328103
3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 102760091
5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
CID 115681781
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329097
4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330666
4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323343

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103330589) is 4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is CC(Nc1nc(N)nc2sccc12)C1CCOC1.
What is the InChIKey of 4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is XIHVZYJOLLGZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7(8-2-4-17-6-8)14-10-9-3-5-18-11(9)16-12(13)15-10/h3,5,7-8H,2,4,6H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 264.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).