N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

C17H19N3O2S — CID 2229408

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2ncnc3sc(C)cc23)cc1OC
InChIInChI=1S/C17H19N3O2S/c1-11-8-13-16(19-10-20-17(13)23-11)18-7-6-12-4-5-14(21-2)15(9-12)22-3/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20)
InChIKeyCRLNCEZRMMLCIH-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.67
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2229408) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2229408
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2ncnc3sc(C)cc23)cc1OC
InChIInChI=1S/C17H19N3O2S/c1-11-8-13-16(19-10-20-17(13)23-11)18-7-6-12-4-5-14(21-2)15(9-12)22-3/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20)
InChIKeyCRLNCEZRMMLCIH-UHFFFAOYSA-N
XLogP3.67
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 28850872
N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 39085245
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133407869
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine
CID 21002609
N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408034
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541698
N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 58338058
(6S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 1324677
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 1315366
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 105366661
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 2229408) is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(CCNc2ncnc3sc(C)cc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CRLNCEZRMMLCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-8-13-16(19-10-20-17(13)23-11)18-7-6-12-4-5-14(21-2)15(9-12)22-3/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 329.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2229408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).