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

C18H15N3S — CID 17450208

IUPACN-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2ccsc12)c1cccc2ccccc12
InChIInChI=1S/C18H15N3S/c1-12(14-8-4-6-13-5-2-3-7-15(13)14)21-18-17-16(9-10-22-17)19-11-20-18/h2-12H,1H3,(H,19,20,21)
InChIKeyLDNNYADXNBSBQK-UHFFFAOYSA-N
MW305.41 g/mol
LogP5.02
Rot. Bonds3

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

N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 17450208) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID17450208
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC NameN-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2ccsc12)c1cccc2ccccc12
InChIInChI=1S/C18H15N3S/c1-12(14-8-4-6-13-5-2-3-7-15(13)14)21-18-17-16(9-10-22-17)19-11-20-18/h2-12H,1H3,(H,19,20,21)
InChIKeyLDNNYADXNBSBQK-UHFFFAOYSA-N
XLogP5.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17418978
N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 41131806
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
N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 62048196
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
4-phenyl-3-[1-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]isochromen-1-one
CID 118131235
N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 103578173
N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 103853810
(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 93033856
N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663575

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine (CID 17450208) is N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine is CC(Nc1ncnc2ccsc12)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is LDNNYADXNBSBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-12(14-8-4-6-13-5-2-3-7-15(13)14)21-18-17-16(9-10-22-17)19-11-20-18/h2-12H,1H3,(H,19,20,21).
What are the key properties of N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine?
N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 305.41 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 17450208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).