N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

C18H18N6S2 — CID 18133691

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cccs3)nc(NCc3nnc4n3CCC4)c2c1C
InChIInChI=1S/C18H18N6S2/c1-10-11(2)26-18-15(10)17(20-16(21-18)12-5-4-8-25-12)19-9-14-23-22-13-6-3-7-24(13)14/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,20,21)
InChIKeyZQHOYTZNISEGIM-UHFFFAOYSA-N
MW382.52 g/mol
LogP4.19
Rot. Bonds4

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 18133691) has the molecular formula C18H18N6S2 and a molecular weight of 382.52 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID18133691
Molecular FormulaC18H18N6S2
Molecular Weight382.52 g/mol
Exact Mass382.10
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cccs3)nc(NCc3nnc4n3CCC4)c2c1C
InChIInChI=1S/C18H18N6S2/c1-10-11(2)26-18-15(10)17(20-16(21-18)12-5-4-8-25-12)19-9-14-23-22-13-6-3-7-24(13)14/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,20,21)
InChIKeyZQHOYTZNISEGIM-UHFFFAOYSA-N
XLogP4.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 18133691) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3cccs3)nc(NCc3nnc4n3CCC4)c2c1C.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZQHOYTZNISEGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S2/c1-10-11(2)26-18-15(10)17(20-16(21-18)12-5-4-8-25-12)19-9-14-23-22-13-6-3-7-24(13)14/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 382.52 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18133691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).