5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine

C17H20N4S — CID 123514867

IUPAC5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccncc3)nc(NCC(C)C)c2c1C
InChIInChI=1S/C17H20N4S/c1-10(2)9-19-16-14-11(3)12(4)22-17(14)21-15(20-16)13-5-7-18-8-6-13/h5-8,10H,9H2,1-4H3,(H,19,20,21)
InChIKeyAFTNCFKDEVGLOG-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.44
Rot. Bonds4

About 5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 123514867) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID123514867
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccncc3)nc(NCC(C)C)c2c1C
InChIInChI=1S/C17H20N4S/c1-10(2)9-19-16-14-11(3)12(4)22-17(14)21-15(20-16)13-5-7-18-8-6-13/h5-8,10H,9H2,1-4H3,(H,19,20,21)
InChIKeyAFTNCFKDEVGLOG-UHFFFAOYSA-N
XLogP4.44
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066592
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5,6-dimethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460065
5,6-dimethyl-N-[(3-nitrophenyl)methyl]-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460299
N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 55044818
N-ethyl-5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 63988987
N-ethyl-5,6-dimethyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 62189376
3-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 17410711
5,6-dimethyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 17481821
N-[1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 4834425
5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460352
N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 2575972
5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 60634136

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine (CID 123514867) is 5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3ccncc3)nc(NCC(C)C)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AFTNCFKDEVGLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-10(2)9-19-16-14-11(3)12(4)22-17(14)21-15(20-16)13-5-7-18-8-6-13/h5-8,10H,9H2,1-4H3,(H,19,20,21).
What are the key properties of 5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 312.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 123514867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).