N,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine

C12H13N5OS2 — CID 22166895

IUPACN,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(CS(=O)c2nc3cscc3[nH]2)ncn1
InChIInChI=1S/C12H13N5OS2/c1-17(2)11-3-8(13-7-14-11)6-20(18)12-15-9-4-19-5-10(9)16-12/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyMARDVZIEJWKPFI-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.79
Rot. Bonds4

About N,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine

N,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine (PubChem CID 22166895) has the molecular formula C12H13N5OS2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine
PubChem CID22166895
Molecular FormulaC12H13N5OS2
Molecular Weight307.40 g/mol
Exact Mass307.06
IUPAC NameN,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(CS(=O)c2nc3cscc3[nH]2)ncn1
InChIInChI=1S/C12H13N5OS2/c1-17(2)11-3-8(13-7-14-11)6-20(18)12-15-9-4-19-5-10(9)16-12/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyMARDVZIEJWKPFI-UHFFFAOYSA-N
XLogP1.79
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine (CID 22166895) is N,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine is CN(C)c1cc(CS(=O)c2nc3cscc3[nH]2)ncn1.
What is the InChIKey of N,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine?
The InChIKey is MARDVZIEJWKPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS2/c1-17(2)11-3-8(13-7-14-11)6-20(18)12-15-9-4-19-5-10(9)16-12/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of N,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine?
N,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 22166895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).