N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine

C13H12N4S — CID 114273415

IUPACN-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine
SMILESc1ccc(CCNc2ncc3ccsc3n2)nc1
InChIInChI=1S/C13H12N4S/c1-2-6-14-11(3-1)4-7-15-13-16-9-10-5-8-18-12(10)17-13/h1-3,5-6,8-9H,4,7H2,(H,15,16,17)
InChIKeyLWCOTZVLVGYOGA-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.74
Rot. Bonds4

About N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine

N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 114273415) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID114273415
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine
SMILESc1ccc(CCNc2ncc3ccsc3n2)nc1
InChIInChI=1S/C13H12N4S/c1-2-6-14-11(3-1)4-7-15-13-16-9-10-5-8-18-12(10)17-13/h1-3,5-6,8-9H,4,7H2,(H,15,16,17)
InChIKeyLWCOTZVLVGYOGA-UHFFFAOYSA-N
XLogP2.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 115978124
4,6-dichloro-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 58508167
5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80765776
2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile
CID 143015963
N-(2-pyridin-2-ylethyl)pyrazin-2-amine
CID 28544593
N-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine
CID 140996813
4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid
CID 150419057
6-[2-[(dimethylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)quinazolin-2-amine
CID 58829409
2-methyl-N-(3-pyridin-2-ylpropyl)propan-2-amine
CID 62549888
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
4-chloro-6-methoxy-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 62858127
1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine;copper(1+);tetrafluoroborate
CID 139182393

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine (CID 114273415) is N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine is c1ccc(CCNc2ncc3ccsc3n2)nc1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is LWCOTZVLVGYOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-2-6-14-11(3-1)4-7-15-13-16-9-10-5-8-18-12(10)17-13/h1-3,5-6,8-9H,4,7H2,(H,15,16,17).
What are the key properties of N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine?
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 256.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 114273415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).