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

C12H8ClN3S — CID 2448678

IUPACN-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2ncnc3sccc23)c1
InChIInChI=1S/C12H8ClN3S/c13-8-2-1-3-9(6-8)16-11-10-4-5-17-12(10)15-7-14-11/h1-7H,(H,14,15,16)
InChIKeyWKUSRXUEHXLVPW-UHFFFAOYSA-N
MW261.74 g/mol
LogP4.09
Rot. Bonds2

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

N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2448678) has the molecular formula C12H8ClN3S and a molecular weight of 261.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2448678
Molecular FormulaC12H8ClN3S
Molecular Weight261.74 g/mol
Exact Mass261.01
IUPAC NameN-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2ncnc3sccc23)c1
InChIInChI=1S/C12H8ClN3S/c13-8-2-1-3-9(6-8)16-11-10-4-5-17-12(10)15-7-14-11/h1-7H,(H,14,15,16)
InChIKeyWKUSRXUEHXLVPW-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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Related Compounds

4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
N-(3-bromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2103474
Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
Thienopyrimidine deriv. 20
CID 6539997
Thienopyrimidine deriv. 27
CID 6540004
Thienopyrimidine deriv. 89
CID 6540022
Thienopyrimidine deriv. 96
CID 6540029
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597
4-Anilinothieno[2,3-d]pyrimidine
CID 2477685
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2509600
(E)-N-[4-(3-chloro-4-fluoroanilino)thieno[2,3-d]pyrimidin-6-yl]-4-[3-(dimethylamino)propylamino]but-2-enamide
CID 90655161
N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2378650

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 2448678) is N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine is Clc1cccc(Nc2ncnc3sccc23)c1.
What is the InChIKey of N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WKUSRXUEHXLVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S/c13-8-2-1-3-9(6-8)16-11-10-4-5-17-12(10)15-7-14-11/h1-7H,(H,14,15,16).
What are the key properties of N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(3-chlorophenyl)thieno[2,3-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[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2448678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).