N-phenylthieno[2,3-d]pyrimidin-4-amine

C12H9N3S — CID 2477685

IUPACN-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(Nc2ncnc3sccc23)cc1
InChIInChI=1S/C12H9N3S/c1-2-4-9(5-3-1)15-11-10-6-7-16-12(10)14-8-13-11/h1-8H,(H,13,14,15)
InChIKeyRJMJJGAUIDTGFD-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.43
Rot. Bonds2

About N-phenylthieno[2,3-d]pyrimidin-4-amine

N-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2477685) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2477685
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC NameN-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(Nc2ncnc3sccc23)cc1
InChIInChI=1S/C12H9N3S/c1-2-4-9(5-3-1)15-11-10-6-7-16-12(10)14-8-13-11/h1-8H,(H,13,14,15)
InChIKeyRJMJJGAUIDTGFD-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-Aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
CID 6539985
4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CID 695484
N-(3-bromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2103474
N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine
CID 5328383
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
CID 6539971
Urea, N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-N'-butyl-
CID 6539986
Thienopyrimidine deriv. 12
CID 6539989
6-Phenyl-thieno[3,2-d]pyrimidin-4-ylamine
CID 11499583
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
N,N-diethyl-N'-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 1608673

Frequently Asked Questions

What is the IUPAC name of N-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-phenylthieno[2,3-d]pyrimidin-4-amine (CID 2477685) is N-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-phenylthieno[2,3-d]pyrimidin-4-amine is c1ccc(Nc2ncnc3sccc23)cc1.
What is the InChIKey of N-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RJMJJGAUIDTGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)15-11-10-6-7-16-12(10)14-8-13-11/h1-8H,(H,13,14,15).
What are the key properties of N-phenylthieno[2,3-d]pyrimidin-4-amine?
N-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 227.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2477685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).