1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide

C24H31N7O4S — CID 58234072

IUPAC1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cc3nc(-c4cnc(OC)nc4OC)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C24H31N7O4S/c1-25-22(32)15-4-6-30(7-5-15)14-16-12-18-19(36-16)21(31-8-10-35-11-9-31)28-20(27-18)17-13-26-24(34-3)29-23(17)33-2/h12-13,15H,4-11,14H2,1-3H3,(H,25,32)
InChIKeyZYSOOUVFIHTRPL-UHFFFAOYSA-N
MW513.62 g/mol
LogP1.96
Rot. Bonds7

About 1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide

1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 58234072) has the molecular formula C24H31N7O4S and a molecular weight of 513.62 g/mol. Its IUPAC name is 1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID58234072
Molecular FormulaC24H31N7O4S
Molecular Weight513.62 g/mol
Exact Mass513.22
IUPAC Name1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cc3nc(-c4cnc(OC)nc4OC)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C24H31N7O4S/c1-25-22(32)15-4-6-30(7-5-15)14-16-12-18-19(36-16)21(31-8-10-35-11-9-31)28-20(27-18)17-13-26-24(34-3)29-23(17)33-2/h12-13,15H,4-11,14H2,1-3H3,(H,25,32)
InChIKeyZYSOOUVFIHTRPL-UHFFFAOYSA-N
XLogP1.96
TPSA114.83 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.62
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide (CID 58234072) is 1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(Cc2cc3nc(-c4cnc(OC)nc4OC)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is ZYSOOUVFIHTRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O4S/c1-25-22(32)15-4-6-30(7-5-15)14-16-12-18-19(36-16)21(31-8-10-35-11-9-31)28-20(27-18)17-13-26-24(34-3)29-23(17)33-2/h12-13,15H,4-11,14H2,1-3H3,(H,25,32).
What are the key properties of 1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide?
1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 513.62 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 58234072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).