5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine

C19H25N7S — CID 133281577

IUPAC5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCCC3)nc(NC3CCc4ncnn4C3)c2c1C
InChIInChI=1S/C19H25N7S/c1-12-13(2)27-19-17(12)18(23-15(24-19)10-25-7-3-4-8-25)22-14-5-6-16-20-11-21-26(16)9-14/h11,14H,3-10H2,1-2H3,(H,22,23,24)
InChIKeyHTCPLHZRJKLLDU-UHFFFAOYSA-N
MW383.53 g/mol
LogP2.92
Rot. Bonds4

About 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133281577) has the molecular formula C19H25N7S and a molecular weight of 383.53 g/mol. Its IUPAC name is 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133281577
Molecular FormulaC19H25N7S
Molecular Weight383.53 g/mol
Exact Mass383.19
IUPAC Name5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCCC3)nc(NC3CCc4ncnn4C3)c2c1C
InChIInChI=1S/C19H25N7S/c1-12-13(2)27-19-17(12)18(23-15(24-19)10-25-7-3-4-8-25)22-14-5-6-16-20-11-21-26(16)9-14/h11,14H,3-10H2,1-2H3,(H,22,23,24)
InChIKeyHTCPLHZRJKLLDU-UHFFFAOYSA-N
XLogP2.92
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine (CID 133281577) is 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN3CCCC3)nc(NC3CCc4ncnn4C3)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HTCPLHZRJKLLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7S/c1-12-13(2)27-19-17(12)18(23-15(24-19)10-25-7-3-4-8-25)22-14-5-6-16-20-11-21-26(16)9-14/h11,14H,3-10H2,1-2H3,(H,22,23,24).
What are the key properties of 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 383.53 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133281577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).