N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine

C13H12N4S — CID 17418978

IUPACN-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2ccsc12)c1ccccn1
InChIInChI=1S/C13H12N4S/c1-9(10-4-2-3-6-14-10)17-13-12-11(5-7-18-12)15-8-16-13/h2-9H,1H3,(H,15,16,17)
InChIKeyVYLYXLHQEOBWFD-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.26
Rot. Bonds3

About N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine

N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 17418978) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID17418978
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2ccsc12)c1ccccn1
InChIInChI=1S/C13H12N4S/c1-9(10-4-2-3-6-14-10)17-13-12-11(5-7-18-12)15-8-16-13/h2-9H,1H3,(H,15,16,17)
InChIKeyVYLYXLHQEOBWFD-UHFFFAOYSA-N
XLogP3.26
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 41131806
N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17450208
N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 62048196
N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 103853810
N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 60701821
N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 43236191
N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 103578173
4-phenyl-3-[1-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]isochromen-1-one
CID 118131235
4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine
CID 79916401
N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 42926398
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 35790358
4-N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324894

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine (CID 17418978) is N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine is CC(Nc1ncnc2ccsc12)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is VYLYXLHQEOBWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-9(10-4-2-3-6-14-10)17-13-12-11(5-7-18-12)15-8-16-13/h2-9H,1H3,(H,15,16,17).
What are the key properties of N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 256.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 17418978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).