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

C13H12N4S — CID 54943655

IUPACN-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1cc(CCNc2ncnc3ccsc23)ccn1
InChIInChI=1S/C13H12N4S/c1-5-14-6-2-10(1)3-7-15-13-12-11(4-8-18-12)16-9-17-13/h1-2,4-6,8-9H,3,7H2,(H,15,16,17)
InChIKeyNYGHGJLNFXBWTJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.74
Rot. Bonds4

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

N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 54943655) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID54943655
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1cc(CCNc2ncnc3ccsc23)ccn1
InChIInChI=1S/C13H12N4S/c1-5-14-6-2-10(1)3-7-15-13-12-11(4-8-18-12)16-9-17-13/h1-2,4-6,8-9H,3,7H2,(H,15,16,17)
InChIKeyNYGHGJLNFXBWTJ-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

N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 43236117
N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 23631937
2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol
CID 58265115
N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663575
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 103744781
N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine
CID 103704438
N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 43236110
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 63330100
ethane;N-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 91097825
2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol
CID 60701626
N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine
CID 79003294
N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide
CID 102675352

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine (CID 54943655) is N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine is c1cc(CCNc2ncnc3ccsc23)ccn1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is NYGHGJLNFXBWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-5-14-6-2-10(1)3-7-15-13-12-11(4-8-18-12)16-9-17-13/h1-2,4-6,8-9H,3,7H2,(H,15,16,17).
What are the key properties of N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-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-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 54943655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).