N,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C19H24N6S — CID 133307701

IUPACN,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCCC3)nc(N(C)Cc3cnccn3)c2c1C
InChIInChI=1S/C19H24N6S/c1-13-14(2)26-19-17(13)18(24(3)11-15-10-20-6-7-21-15)22-16(23-19)12-25-8-4-5-9-25/h6-7,10H,4-5,8-9,11-12H2,1-3H3
InChIKeyFAMJABOZEMXGNI-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.33
Rot. Bonds5

About N,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133307701) has the molecular formula C19H24N6S and a molecular weight of 368.51 g/mol. Its IUPAC name is N,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133307701
Molecular FormulaC19H24N6S
Molecular Weight368.51 g/mol
Exact Mass368.18
IUPAC NameN,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCCC3)nc(N(C)Cc3cnccn3)c2c1C
InChIInChI=1S/C19H24N6S/c1-13-14(2)26-19-17(13)18(24(3)11-15-10-20-6-7-21-15)22-16(23-19)12-25-8-4-5-9-25/h6-7,10H,4-5,8-9,11-12H2,1-3H3
InChIKeyFAMJABOZEMXGNI-UHFFFAOYSA-N
XLogP3.33
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 133307701) is N,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN3CCCC3)nc(N(C)Cc3cnccn3)c2c1C.
What is the InChIKey of N,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FAMJABOZEMXGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6S/c1-13-14(2)26-19-17(13)18(24(3)11-15-10-20-6-7-21-15)22-16(23-19)12-25-8-4-5-9-25/h6-7,10H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of N,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 368.51 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-(pyrazin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133307701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).