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

C13H11N3OS — CID 5157219

IUPACN-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3sccc23)cc1
InChIInChI=1S/C13H11N3OS/c1-17-10-4-2-9(3-5-10)16-12-11-6-7-18-13(11)15-8-14-12/h2-8H,1H3,(H,14,15,16)
InChIKeyFBEDSOXDNFUTHO-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.44
Rot. Bonds3

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

N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 5157219) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID5157219
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC NameN-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3sccc23)cc1
InChIInChI=1S/C13H11N3OS/c1-17-10-4-2-9(3-5-10)16-12-11-6-7-18-13(11)15-8-14-12/h2-8H,1H3,(H,14,15,16)
InChIKeyFBEDSOXDNFUTHO-UHFFFAOYSA-N
XLogP3.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thienopyrimidine deriv. 15
CID 6539992
4-Phenoxythieno[2,3-d]pyrimidine
CID 710993
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
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
2-[[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 1946404
N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2443590
T5282004
CID 2468821
N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2503621
N-(2,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2519505
N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 5185787

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 5157219) is N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3sccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FBEDSOXDNFUTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-17-10-4-2-9(3-5-10)16-12-11-6-7-18-13(11)15-8-14-12/h2-8H,1H3,(H,14,15,16).
What are the key properties of N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 257.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 5157219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).