2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

C12H15F2N3OS — CID 82007213

IUPAC2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(COCC(F)F)nc2sccc12
InChIInChI=1S/C12H15F2N3OS/c1-2-4-15-11-8-3-5-19-12(8)17-10(16-11)7-18-6-9(13)14/h3,5,9H,2,4,6-7H2,1H3,(H,15,16,17)
InChIKeyMRHAHHOEURHONW-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.29
Rot. Bonds7

About 2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 82007213) has the molecular formula C12H15F2N3OS and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID82007213
Molecular FormulaC12H15F2N3OS
Molecular Weight287.33 g/mol
Exact Mass287.09
IUPAC Name2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(COCC(F)F)nc2sccc12
InChIInChI=1S/C12H15F2N3OS/c1-2-4-15-11-8-3-5-19-12(8)17-10(16-11)7-18-6-9(13)14/h3,5,9H,2,4,6-7H2,1H3,(H,15,16,17)
InChIKeyMRHAHHOEURHONW-UHFFFAOYSA-N
XLogP3.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193587
2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188539
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103150246
2-(oxolan-2-ylmethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193733
N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194454
[2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 114208585
2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 133415292
2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62208085

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 82007213) is 2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(COCC(F)F)nc2sccc12.
What is the InChIKey of 2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MRHAHHOEURHONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3OS/c1-2-4-15-11-8-3-5-19-12(8)17-10(16-11)7-18-6-9(13)14/h3,5,9H,2,4,6-7H2,1H3,(H,15,16,17).
What are the key properties of 2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 287.33 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 82007213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).