N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine

C21H17N5S — CID 118331920

IUPACN-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C21H17N5S/c1-14-23-17-9-5-6-10-18(17)26(14)21-24-19(16-11-12-27-20(16)25-21)22-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,22,24,25)
InChIKeyPJONQAUIBNWNGJ-UHFFFAOYSA-N
MW371.47 g/mol
LogP4.95
Rot. Bonds4

About N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine

N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 118331920) has the molecular formula C21H17N5S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID118331920
Molecular FormulaC21H17N5S
Molecular Weight371.47 g/mol
Exact Mass371.12
IUPAC NameN-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C21H17N5S/c1-14-23-17-9-5-6-10-18(17)26(14)21-24-19(16-11-12-27-20(16)25-21)22-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,22,24,25)
InChIKeyPJONQAUIBNWNGJ-UHFFFAOYSA-N
XLogP4.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
2-(2-aminobenzimidazol-1-yl)-N-benzylthieno[2,3-d]pyrimidin-4-amine;2-N-(2-aminophenyl)-4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine;carbononitridic bromide;molecular iodine
CID 159836145
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
2-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11680593
2-hydrazinyl-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103335344
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
N-benzyl-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 15418483
2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324453
2-(2-aminobenzimidazol-1-yl)-N-benzyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 58523926
3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one
CID 118331924
2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole
CID 79754202

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine (CID 118331920) is N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2ccsc2n1.
What is the InChIKey of N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PJONQAUIBNWNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5S/c1-14-23-17-9-5-6-10-18(17)26(14)21-24-19(16-11-12-27-20(16)25-21)22-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,22,24,25).
What are the key properties of N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine?
N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 371.47 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118331920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).