N,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C20H19N5S — CID 17402762

IUPACN,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cccnc3)nc(N(C)Cc3cccnc3)c2c1C
InChIInChI=1S/C20H19N5S/c1-13-14(2)26-20-17(13)19(25(3)12-15-6-4-8-21-10-15)23-18(24-20)16-7-5-9-22-11-16/h4-11H,12H2,1-3H3
InChIKeyXFEYQIZEWGFGKJ-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.40
Rot. Bonds4

About N,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 17402762) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is N,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID17402762
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC NameN,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cccnc3)nc(N(C)Cc3cccnc3)c2c1C
InChIInChI=1S/C20H19N5S/c1-13-14(2)26-20-17(13)19(25(3)12-15-6-4-8-21-10-15)23-18(24-20)16-7-5-9-22-11-16/h4-11H,12H2,1-3H3
InChIKeyXFEYQIZEWGFGKJ-UHFFFAOYSA-N
XLogP4.40
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 17402762) is N,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3cccnc3)nc(N(C)Cc3cccnc3)c2c1C.
What is the InChIKey of N,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XFEYQIZEWGFGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-13-14(2)26-20-17(13)19(25(3)12-15-6-4-8-21-10-15)23-18(24-20)16-7-5-9-22-11-16/h4-11H,12H2,1-3H3.
What are the key properties of N,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 361.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 17402762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).