N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine

C20H17N3OS — CID 25164407

IUPACN-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncnc2cc(-c3ccccc3)sc12
InChIInChI=1S/C20H17N3OS/c1-24-17-10-6-5-9-15(17)12-21-20-19-16(22-13-23-20)11-18(25-19)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,21,22,23)
InChIKeyANXUJBBIVLICET-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.98
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine

N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 25164407) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
PubChem CID25164407
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncnc2cc(-c3ccccc3)sc12
InChIInChI=1S/C20H17N3OS/c1-24-17-10-6-5-9-15(17)12-21-20-19-16(22-13-23-20)11-18(25-19)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,21,22,23)
InChIKeyANXUJBBIVLICET-UHFFFAOYSA-N
XLogP4.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 25167010
N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 25166185
6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 25165203
6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 18382769
3-chloro-4-(4-hydroxy-3-methoxyphenyl)-1-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]azetidin-2-one
CID 10599758
N-[(6-chloro-2-fluorocyclohexa-1,3-dien-1-yl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
CID 89208921
6-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3234739
6-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 155537576
(2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine
CID 166381478
6-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 101365146
N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 143741193
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine
CID 80911879

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine (CID 25164407) is N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine is COc1ccccc1CNc1ncnc2cc(-c3ccccc3)sc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ANXUJBBIVLICET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-24-17-10-6-5-9-15(17)12-21-20-19-16(22-13-23-20)11-18(25-19)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,21,22,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine?
N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 347.44 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 25164407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).