3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide

C22H20N4O2S — CID 133278970

IUPAC3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide
SMILESCOCc1nc(NCc2cccc(C(N)=O)c2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H20N4O2S/c1-28-12-18-25-21(24-11-14-6-5-9-16(10-14)20(23)27)19-17(13-29-22(19)26-18)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H2,23,27)(H,24,25,26)
InChIKeyNOXNAYSNEALPLA-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.22
Rot. Bonds7

About 3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide

3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide (PubChem CID 133278970) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide
PubChem CID133278970
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide
SMILESCOCc1nc(NCc2cccc(C(N)=O)c2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C22H20N4O2S/c1-28-12-18-25-21(24-11-14-6-5-9-16(10-14)20(23)27)19-17(13-29-22(19)26-18)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H2,23,27)(H,24,25,26)
InChIKeyNOXNAYSNEALPLA-UHFFFAOYSA-N
XLogP4.22
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133278697
N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 133279040
2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide
CID 133278882
2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133278921
2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279130
3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 133279193
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166060910
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 75457555
2-(methoxymethyl)-N-(1-methylsulfanylpropan-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133311829
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 133278807
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 47002660

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide?
The IUPAC name of 3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide (CID 133278970) is 3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide is COCc1nc(NCc2cccc(C(N)=O)c2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide?
The InChIKey is NOXNAYSNEALPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-28-12-18-25-21(24-11-14-6-5-9-16(10-14)20(23)27)19-17(13-29-22(19)26-18)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H2,23,27)(H,24,25,26).
What are the key properties of 3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide?
3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide has a molecular weight of 404.50 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide is sourced from PubChem (CID 133278970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).