[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C26H27N5O2S — CID 45166956

IUPAC[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCOc1ccccc1CNc1ncnc2sc(C(=O)N3CCCCC3c3cccnc3)c(C)c12
InChIInChI=1S/C26H27N5O2S/c1-17-22-24(28-15-19-8-3-4-11-21(19)33-2)29-16-30-25(22)34-23(17)26(32)31-13-6-5-10-20(31)18-9-7-12-27-14-18/h3-4,7-9,11-12,14,16,20H,5-6,10,13,15H2,1-2H3,(H,28,29,30)
InChIKeyUYLIONSAFGLBDR-UHFFFAOYSA-N
MW473.60 g/mol
LogP5.38
Rot. Bonds6

About [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 45166956) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID45166956
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC Name[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCOc1ccccc1CNc1ncnc2sc(C(=O)N3CCCCC3c3cccnc3)c(C)c12
InChIInChI=1S/C26H27N5O2S/c1-17-22-24(28-15-19-8-3-4-11-21(19)33-2)29-16-30-25(22)34-23(17)26(32)31-13-6-5-10-20(31)18-9-7-12-27-14-18/h3-4,7-9,11-12,14,16,20H,5-6,10,13,15H2,1-2H3,(H,28,29,30)
InChIKeyUYLIONSAFGLBDR-UHFFFAOYSA-N
XLogP5.38
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45166699
[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
CID 45236756
4-[(2-methoxyphenyl)methylamino]-5-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45215842
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-[(3-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 42397531
methyl 1-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidine-2-carboxylate
CID 45237219
[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-ethylpiperidin-1-yl)methanone
CID 118756583
N-butyl-4-[(2-methoxyphenyl)methylamino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42472593
N-[(2-methoxyphenyl)methyl]-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42452538
(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257901
4-[(2-methoxyphenyl)methylamino]-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26352092
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 136551647
[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 118786072

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 45166956) is [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is COc1ccccc1CNc1ncnc2sc(C(=O)N3CCCCC3c3cccnc3)c(C)c12.
What is the InChIKey of [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is UYLIONSAFGLBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-17-22-24(28-15-19-8-3-4-11-21(19)33-2)29-16-30-25(22)34-23(17)26(32)31-13-6-5-10-20(31)18-9-7-12-27-14-18/h3-4,7-9,11-12,14,16,20H,5-6,10,13,15H2,1-2H3,(H,28,29,30).
What are the key properties of [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 473.60 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 45166956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).