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

C14H13N3OS — CID 2443590

IUPACN-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncnc2sccc12
InChIInChI=1S/C14H13N3OS/c1-18-12-5-3-2-4-10(12)8-15-13-11-6-7-19-14(11)17-9-16-13/h2-7,9H,8H2,1H3,(H,15,16,17)
InChIKeyYMJVVLMLPQDQJH-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.31
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2443590) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID2443590
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncnc2sccc12
InChIInChI=1S/C14H13N3OS/c1-18-12-5-3-2-4-10(12)8-15-13-11-6-7-19-14(11)17-9-16-13/h2-7,9H,8H2,1H3,(H,15,16,17)
InChIKeyYMJVVLMLPQDQJH-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 708734
(2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 78319175
4-Phenoxythieno[2,3-d]pyrimidine
CID 710993
2-Methylthieno[2,3-d]pyrimidin-4-yl phenyl ether
CID 1233965
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
5-[2-(2,5-Dimethoxyphenyl)ethyl]thieno[2,3-D]pyrimidine-2,4-Diamine
CID 457378
(2S)-2-[[6-(2,6-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 127026080
2-[[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 1946404
3-{[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
CID 1948833
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 2401215

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 2443590) is N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccccc1CNc1ncnc2sccc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YMJVVLMLPQDQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-18-12-5-3-2-4-10(12)8-15-13-11-6-7-19-14(11)17-9-16-13/h2-7,9H,8H2,1H3,(H,15,16,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 271.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2443590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).