N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

C18H15N7S — CID 155678825

IUPACN-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2nc(-c3[nH]ncc3Nc3ncnc4sccc34)[nH]c2cc1C
InChIInChI=1S/C18H15N7S/c1-9-5-12-13(6-10(9)2)23-17(22-12)15-14(7-21-25-15)24-16-11-3-4-26-18(11)20-8-19-16/h3-8H,1-2H3,(H,21,25)(H,22,23)(H,19,20,24)
InChIKeyBABBQEZTTAXIQF-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.32
Rot. Bonds3

About N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 155678825) has the molecular formula C18H15N7S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID155678825
Molecular FormulaC18H15N7S
Molecular Weight361.43 g/mol
Exact Mass361.11
IUPAC NameN-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2nc(-c3[nH]ncc3Nc3ncnc4sccc34)[nH]c2cc1C
InChIInChI=1S/C18H15N7S/c1-9-5-12-13(6-10(9)2)23-17(22-12)15-14(7-21-25-15)24-16-11-3-4-26-18(11)20-8-19-16/h3-8H,1-2H3,(H,21,25)(H,22,23)(H,19,20,24)
InChIKeyBABBQEZTTAXIQF-UHFFFAOYSA-N
XLogP4.32
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 155678825) is N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is Cc1cc2nc(-c3[nH]ncc3Nc3ncnc4sccc34)[nH]c2cc1C.
What is the InChIKey of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BABBQEZTTAXIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7S/c1-9-5-12-13(6-10(9)2)23-17(22-12)15-14(7-21-25-15)24-16-11-3-4-26-18(11)20-8-19-16/h3-8H,1-2H3,(H,21,25)(H,22,23)(H,19,20,24).
What are the key properties of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 361.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155678825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).