2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C20H18N4OS — CID 133278697

IUPAC2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(NCc2cccnc2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H18N4OS/c1-25-12-17-23-19(22-11-14-6-5-9-21-10-14)18-16(13-26-20(18)24-17)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,22,23,24)
InChIKeyFBYINRDHYKIGLC-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.51
Rot. Bonds6

About 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133278697) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133278697
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(NCc2cccnc2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H18N4OS/c1-25-12-17-23-19(22-11-14-6-5-9-21-10-14)18-16(13-26-20(18)24-17)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,22,23,24)
InChIKeyFBYINRDHYKIGLC-UHFFFAOYSA-N
XLogP4.51
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide
CID 133278970
2-(methoxymethyl)-N-methyl-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133278760
2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133278921
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279130
2-(methoxymethyl)-N-(1-methylsulfanylpropan-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133311829
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 47002660
2-(methoxymethyl)-N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278714
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 75457555
2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide
CID 133278882
3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 133279193
N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2481763

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 133278697) is 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is COCc1nc(NCc2cccnc2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FBYINRDHYKIGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-25-12-17-23-19(22-11-14-6-5-9-21-10-14)18-16(13-26-20(18)24-17)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,22,23,24).
What are the key properties of 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 362.46 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133278697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).