2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C15H15N5S — CID 83192982

IUPAC2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(Cc2nc3ccccc3[nH]2)nc2c1CSC2
InChIInChI=1S/C15H15N5S/c1-16-15-9-7-21-8-12(9)19-14(20-15)6-13-17-10-4-2-3-5-11(10)18-13/h2-5H,6-8H2,1H3,(H,17,18)(H,16,19,20)
InChIKeyGEPWVDIMEXXAST-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.73
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83192982) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83192982
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(Cc2nc3ccccc3[nH]2)nc2c1CSC2
InChIInChI=1S/C15H15N5S/c1-16-15-9-7-21-8-12(9)19-14(20-15)6-13-17-10-4-2-3-5-11(10)18-13/h2-5H,6-8H2,1H3,(H,17,18)(H,16,19,20)
InChIKeyGEPWVDIMEXXAST-UHFFFAOYSA-N
XLogP2.73
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 63638962
[2-(1H-benzimidazol-2-ylmethyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 63639635
2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63639303
2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637718
2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83200997
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268608
2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole
CID 165348409
[2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 63639806
2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole
CID 139695649
2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637400

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83192982) is 2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(Cc2nc3ccccc3[nH]2)nc2c1CSC2.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is GEPWVDIMEXXAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-16-15-9-7-21-8-12(9)19-14(20-15)6-13-17-10-4-2-3-5-11(10)18-13/h2-5H,6-8H2,1H3,(H,17,18)(H,16,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 297.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83192982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).