N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C23H28N4O3S — CID 55746035

IUPACN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2CN2CC(C)OC(C)C2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C23H28N4O3S/c1-14-10-27(11-15(2)30-14)12-18-8-6-5-7-17(18)9-24-21(28)20-16(3)19-22(31-20)25-13-26(4)23(19)29/h5-8,13-15H,9-12H2,1-4H3,(H,24,28)
InChIKeyYFSHAKSDNPIICM-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.84
Rot. Bonds5

About N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55746035) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55746035
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2CN2CC(C)OC(C)C2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C23H28N4O3S/c1-14-10-27(11-15(2)30-14)12-18-8-6-5-7-17(18)9-24-21(28)20-16(3)19-22(31-20)25-13-26(4)23(19)29/h5-8,13-15H,9-12H2,1-4H3,(H,24,28)
InChIKeyYFSHAKSDNPIICM-UHFFFAOYSA-N
XLogP2.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 51121223
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 15999563
3,5-dimethyl-4-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55803729
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 27989744
3,5-dimethyl-4-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 134043017
3,5-dimethyl-4-oxo-N-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 97206491
N-(2-cyclohexylethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 53498116
3,5-dimethyl-4-oxo-N-(9H-xanthen-9-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 56547416
3,5-dimethyl-4-oxo-N-(3-phenylsulfanylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 38569766
N-(1,3-diphenylpropyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55810563
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110889150
3,5-dimethyl-4-oxo-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55751578

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 55746035) is N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCc2ccccc2CN2CC(C)OC(C)C2)sc2ncn(C)c(=O)c12.
What is the InChIKey of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YFSHAKSDNPIICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-14-10-27(11-15(2)30-14)12-18-8-6-5-7-17(18)9-24-21(28)20-16(3)19-22(31-20)25-13-26(4)23(19)29/h5-8,13-15H,9-12H2,1-4H3,(H,24,28).
What are the key properties of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55746035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).