2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one

C19H20N4O2S — CID 166692295

IUPAC2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1cc2nc(CN(C)CC(=O)N3Cc4ccccc4C3)[nH]c(=O)c2s1
InChIInChI=1S/C19H20N4O2S/c1-12-7-15-18(26-12)19(25)21-16(20-15)10-22(2)11-17(24)23-8-13-5-3-4-6-14(13)9-23/h3-7H,8-11H2,1-2H3,(H,20,21,25)
InChIKeyQMZDEPKYVYRKAO-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.27
Rot. Bonds4

About 2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one

2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 166692295) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID166692295
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1cc2nc(CN(C)CC(=O)N3Cc4ccccc4C3)[nH]c(=O)c2s1
InChIInChI=1S/C19H20N4O2S/c1-12-7-15-18(26-12)19(25)21-16(20-15)10-22(2)11-17(24)23-8-13-5-3-4-6-14(13)9-23/h3-7H,8-11H2,1-2H3,(H,20,21,25)
InChIKeyQMZDEPKYVYRKAO-UHFFFAOYSA-N
XLogP2.27
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 900065
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CID 733158
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CID 1453244
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CID 2999853
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CID 3436415
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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 166692295) is 2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1cc2nc(CN(C)CC(=O)N3Cc4ccccc4C3)[nH]c(=O)c2s1.
What is the InChIKey of 2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is QMZDEPKYVYRKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-7-15-18(26-12)19(25)21-16(20-15)10-22(2)11-17(24)23-8-13-5-3-4-6-14(13)9-23/h3-7H,8-11H2,1-2H3,(H,20,21,25).
What are the key properties of 2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 368.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 166692295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).