4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine

C20H18N6O2S — CID 59829572

IUPAC4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccncc1-c1cc2c(N3CCOCC3)nc(-c3cncnc3)nc2s1
InChIInChI=1S/C20H18N6O2S/c1-27-16-2-3-21-11-15(16)17-8-14-19(26-4-6-28-7-5-26)24-18(25-20(14)29-17)13-9-22-12-23-10-13/h2-3,8-12H,4-7H2,1H3
InChIKeyXHSPIZKMGQPENT-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.06
Rot. Bonds4

About 4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine

4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 59829572) has the molecular formula C20H18N6O2S and a molecular weight of 406.47 g/mol. Its IUPAC name is 4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID59829572
Molecular FormulaC20H18N6O2S
Molecular Weight406.47 g/mol
Exact Mass406.12
IUPAC Name4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccncc1-c1cc2c(N3CCOCC3)nc(-c3cncnc3)nc2s1
InChIInChI=1S/C20H18N6O2S/c1-27-16-2-3-21-11-15(16)17-8-14-19(26-4-6-28-7-5-26)24-18(25-20(14)29-17)13-9-22-12-23-10-13/h2-3,8-12H,4-7H2,1H3
InChIKeyXHSPIZKMGQPENT-UHFFFAOYSA-N
XLogP3.06
TPSA86.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

N-[3-(4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 59829571
4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 59817867
4-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593086
5-(6-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829563
4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 18287230
6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965387
N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide
CID 69044924
N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829279
4-(5-methoxy-2-phenylpyrimidin-4-yl)morpholine
CID 3329093
4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen
CID 142499116
2-[2-(5-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 59829481
4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine
CID 142765179

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine (CID 59829572) is 4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine is COc1ccncc1-c1cc2c(N3CCOCC3)nc(-c3cncnc3)nc2s1.
What is the InChIKey of 4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is XHSPIZKMGQPENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S/c1-27-16-2-3-21-11-15(16)17-8-14-19(26-4-6-28-7-5-26)24-18(25-20(14)29-17)13-9-22-12-23-10-13/h2-3,8-12H,4-7H2,1H3.
What are the key properties of 4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine?
4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 406.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 59829572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).