4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine

C10H12F2N4S — CID 103329333

IUPAC4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCC(F)F)nc(N)nc2s1
InChIInChI=1S/C10H12F2N4S/c1-2-5-3-6-8(14-4-7(11)12)15-10(13)16-9(6)17-5/h3,7H,2,4H2,1H3,(H3,13,14,15,16)
InChIKeyUVXVCMTYYRWDTN-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.51
Rot. Bonds4

About 4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329333) has the molecular formula C10H12F2N4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329333
Molecular FormulaC10H12F2N4S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCC(F)F)nc(N)nc2s1
InChIInChI=1S/C10H12F2N4S/c1-2-5-3-6-8(14-4-7(11)12)15-10(13)16-9(6)17-5/h3,7H,2,4H2,1H3,(H3,13,14,15,16)
InChIKeyUVXVCMTYYRWDTN-UHFFFAOYSA-N
XLogP2.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103324846
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329267
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125
6-ethyl-4-N-(5-methylhexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329299
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343217
6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330088
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
6-ethyl-4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327914
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324239
N-[3-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332303
6-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411895

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103329333) is 4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NCC(F)F)nc(N)nc2s1.
What is the InChIKey of 4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is UVXVCMTYYRWDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4S/c1-2-5-3-6-8(14-4-7(11)12)15-10(13)16-9(6)17-5/h3,7H,2,4H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 258.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).