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

C12H8ClN3S — CID 57429038

IUPACN-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2ncnc3ccsc23)c1
InChIInChI=1S/C12H8ClN3S/c13-8-2-1-3-9(6-8)16-12-11-10(4-5-17-11)14-7-15-12/h1-7H,(H,14,15,16)
InChIKeyYAPHXVGZFFXJBC-UHFFFAOYSA-N
MW261.74 g/mol
LogP4.09
Rot. Bonds2

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

N-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 57429038) has the molecular formula C12H8ClN3S and a molecular weight of 261.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID57429038
Molecular FormulaC12H8ClN3S
Molecular Weight261.74 g/mol
Exact Mass261.01
IUPAC NameN-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2ncnc3ccsc23)c1
InChIInChI=1S/C12H8ClN3S/c13-8-2-1-3-9(6-8)16-12-11-10(4-5-17-11)14-7-15-12/h1-7H,(H,14,15,16)
InChIKeyYAPHXVGZFFXJBC-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine (CID 57429038) is N-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine is Clc1cccc(Nc2ncnc3ccsc23)c1.
What is the InChIKey of N-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YAPHXVGZFFXJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S/c13-8-2-1-3-9(6-8)16-12-11-10(4-5-17-11)14-7-15-12/h1-7H,(H,14,15,16).
What are the key properties of N-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine?
N-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 261.74 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 57429038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).