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

C14H13N3O2S — CID 2503621

IUPACN-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3sccc23)cc1OC
InChIInChI=1S/C14H13N3O2S/c1-18-11-4-3-9(7-12(11)19-2)17-13-10-5-6-20-14(10)16-8-15-13/h3-8H,1-2H3,(H,15,16,17)
InChIKeyRSKNNTBOLOFSGU-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.45
Rot. Bonds4

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

N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2503621) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2503621
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3sccc23)cc1OC
InChIInChI=1S/C14H13N3O2S/c1-18-11-4-3-9(7-12(11)19-2)17-13-10-5-6-20-14(10)16-8-15-13/h3-8H,1-2H3,(H,15,16,17)
InChIKeyRSKNNTBOLOFSGU-UHFFFAOYSA-N
XLogP3.45
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 137321167
Thienopyrimidine deriv. 14
CID 6539991
N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457290
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
N-(2,5-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2508929
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 757230
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 2401215
N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2443590
T5282004
CID 2468821
N-(2,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2519505
1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 4797534
N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 5157219

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 2503621) is N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3sccc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RSKNNTBOLOFSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-18-11-4-3-9(7-12(11)19-2)17-13-10-5-6-20-14(10)16-8-15-13/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 287.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2503621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).