N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C12H11F2N5S — CID 38773006

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1nccn1C(F)F)c1ncnc2sccc12
InChIInChI=1S/C12H11F2N5S/c1-18(6-9-15-3-4-19(9)12(13)14)10-8-2-5-20-11(8)17-7-16-10/h2-5,7,12H,6H2,1H3
InChIKeyPPWPNFGQJFTEOY-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.92
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 38773006) has the molecular formula C12H11F2N5S and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID38773006
Molecular FormulaC12H11F2N5S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1nccn1C(F)F)c1ncnc2sccc12
InChIInChI=1S/C12H11F2N5S/c1-18(6-9-15-3-4-19(9)12(13)14)10-8-2-5-20-11(8)17-7-16-10/h2-5,7,12H,6H2,1H3
InChIKeyPPWPNFGQJFTEOY-UHFFFAOYSA-N
XLogP2.92
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 38773006) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CN(Cc1nccn1C(F)F)c1ncnc2sccc12.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PPWPNFGQJFTEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5S/c1-18(6-9-15-3-4-19(9)12(13)14)10-8-2-5-20-11(8)17-7-16-10/h2-5,7,12H,6H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 295.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 38773006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).