3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol

C10H12F2N4OS — CID 106179348

IUPAC3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCc1cc2c(NCC(F)(F)CO)nc(N)nc2s1
InChIInChI=1S/C10H12F2N4OS/c1-5-2-6-7(14-3-10(11,12)4-17)15-9(13)16-8(6)18-5/h2,17H,3-4H2,1H3,(H3,13,14,15,16)
InChIKeyNAWNKPOLAOIQCE-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.62
Rot. Bonds4

About 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol

3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106179348) has the molecular formula C10H12F2N4OS and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106179348
Molecular FormulaC10H12F2N4OS
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCc1cc2c(NCC(F)(F)CO)nc(N)nc2s1
InChIInChI=1S/C10H12F2N4OS/c1-5-2-6-7(14-3-10(11,12)4-17)15-9(13)16-8(6)18-5/h2,17H,3-4H2,1H3,(H3,13,14,15,16)
InChIKeyNAWNKPOLAOIQCE-UHFFFAOYSA-N
XLogP1.62
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol with MolForge

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Related Compounds

6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329359
4-N-(1-methoxy-2-methylpropan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330005
2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol
CID 103328768
3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334447
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 103325110
3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179605
4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326737
2-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103328656
6-methyl-4-N-[(4-methylcyclohexyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327663
4-N-(2-ethoxypropyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330055
6-methyl-4-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325333
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 106041359

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (CID 106179348) is 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is Cc1cc2c(NCC(F)(F)CO)nc(N)nc2s1.
What is the InChIKey of 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is NAWNKPOLAOIQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4OS/c1-5-2-6-7(14-3-10(11,12)4-17)15-9(13)16-8(6)18-5/h2,17H,3-4H2,1H3,(H3,13,14,15,16).
What are the key properties of 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 274.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106179348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).