N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine

C12H13N5S — CID 75510060

IUPACN-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ncc[nH]2)c2c(C)csc2n1
InChIInChI=1S/C12H13N5S/c1-7-6-18-12-10(7)11(16-8(2)17-12)15-5-9-13-3-4-14-9/h3-4,6H,5H2,1-2H3,(H,13,14)(H,15,16,17)
InChIKeyYXPYAFLLIRAEKD-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.64
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine

N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 75510060) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID75510060
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ncc[nH]2)c2c(C)csc2n1
InChIInChI=1S/C12H13N5S/c1-7-6-18-12-10(7)11(16-8(2)17-12)15-5-9-13-3-4-14-9/h3-4,6H,5H2,1-2H3,(H,13,14)(H,15,16,17)
InChIKeyYXPYAFLLIRAEKD-UHFFFAOYSA-N
XLogP2.64
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 44379610
4-(1-Methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine
CID 3956601
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 38773006
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 40671160
4-{4-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}-5-methylthieno[2,3-d]pyrimidine
CID 50949882
N,N-dimethyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 127037301
N-methyl-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 127037302
4-[4-(1H-imidazol-2-yl)-1-piperidinyl]-2-methylthieno[2,3-d]pyrimidine
CID 70765020
4-methyl-2-[(2S)-2-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 95336179
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 97435855
2-ethyl-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 126836105
5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 127037303

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 75510060) is N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2ncc[nH]2)c2c(C)csc2n1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YXPYAFLLIRAEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-7-6-18-12-10(7)11(16-8(2)17-12)15-5-9-13-3-4-14-9/h3-4,6H,5H2,1-2H3,(H,13,14)(H,15,16,17).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 259.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 75510060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).