N-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine

C20H16N6S — CID 46883056

IUPACN-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1cc(CNc2ncnc3ccsc23)cc(Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H16N6S/c1-2-7-16-15(6-1)25-20(26-16)24-14-5-3-4-13(10-14)11-21-19-18-17(8-9-27-18)22-12-23-19/h1-10,12H,11H2,(H,21,22,23)(H2,24,25,26)
InChIKeyRDXHPHYQWFZWFU-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.92
Rot. Bonds5

About N-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine

N-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 46883056) has the molecular formula C20H16N6S and a molecular weight of 372.46 g/mol. Its IUPAC name is N-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID46883056
Molecular FormulaC20H16N6S
Molecular Weight372.46 g/mol
Exact Mass372.12
IUPAC NameN-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1cc(CNc2ncnc3ccsc23)cc(Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H16N6S/c1-2-7-16-15(6-1)25-20(26-16)24-14-5-3-4-13(10-14)11-21-19-18-17(8-9-27-18)22-12-23-19/h1-10,12H,11H2,(H,21,22,23)(H2,24,25,26)
InChIKeyRDXHPHYQWFZWFU-UHFFFAOYSA-N
XLogP4.92
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine (CID 46883056) is N-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine is c1cc(CNc2ncnc3ccsc23)cc(Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is RDXHPHYQWFZWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6S/c1-2-7-16-15(6-1)25-20(26-16)24-14-5-3-4-13(10-14)11-21-19-18-17(8-9-27-18)22-12-23-19/h1-10,12H,11H2,(H,21,22,23)(H2,24,25,26).
What are the key properties of N-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
N-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 372.46 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1H-benzimidazol-2-ylamino)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 46883056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).