4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine

C14H12ClN3S — CID 82309306

IUPAC4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCC(Nc1nc(Cl)c2ccsc2n1)c1ccccc1
InChIInChI=1S/C14H12ClN3S/c1-9(10-5-3-2-4-6-10)16-14-17-12(15)11-7-8-19-13(11)18-14/h2-9H,1H3,(H,16,17,18)
InChIKeyOIXWXZMIRORBIN-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.52
Rot. Bonds3

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

4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 82309306) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID82309306
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCC(Nc1nc(Cl)c2ccsc2n1)c1ccccc1
InChIInChI=1S/C14H12ClN3S/c1-9(10-5-3-2-4-6-10)16-14-17-12(15)11-7-8-19-13(11)18-14/h2-9H,1H3,(H,16,17,18)
InChIKeyOIXWXZMIRORBIN-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324196
6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine
CID 19897292
N-(4-chlorothieno[2,3-d]pyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 82309309
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine
CID 63084498
4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)amino]benzoic acid
CID 82316540
4-chloro-2-(2-methylphenyl)thieno[2,3-d]pyrimidine
CID 62177117
2-hydrazinyl-N-(2-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335640
4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 82461228
4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine
CID 114754484
6-[(1S)-1-chloroethyl]-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 59879811

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine (CID 82309306) is 4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine is CC(Nc1nc(Cl)c2ccsc2n1)c1ccccc1.
What is the InChIKey of 4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is OIXWXZMIRORBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-9(10-5-3-2-4-6-10)16-14-17-12(15)11-7-8-19-13(11)18-14/h2-9H,1H3,(H,16,17,18).
What are the key properties of 4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine?
4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 289.79 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82309306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).