N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C19H28N4O3S — CID 24646222

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCC1CN(C(C)(C)CNC(=O)CCn2cnc3sccc3c2=O)CC(C)O1
InChIInChI=1S/C19H28N4O3S/c1-13-9-23(10-14(2)26-13)19(3,4)11-20-16(24)5-7-22-12-21-17-15(18(22)25)6-8-27-17/h6,8,12-14H,5,7,9-11H2,1-4H3,(H,20,24)
InChIKeyLXPBPQZRFFCHAY-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.85
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 24646222) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID24646222
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCC1CN(C(C)(C)CNC(=O)CCn2cnc3sccc3c2=O)CC(C)O1
InChIInChI=1S/C19H28N4O3S/c1-13-9-23(10-14(2)26-13)19(3,4)11-20-16(24)5-7-22-12-21-17-15(18(22)25)6-8-27-17/h6,8,12-14H,5,7,9-11H2,1-4H3,(H,20,24)
InChIKeyLXPBPQZRFFCHAY-UHFFFAOYSA-N
XLogP1.85
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 24646222) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is CC1CN(C(C)(C)CNC(=O)CCn2cnc3sccc3c2=O)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is LXPBPQZRFFCHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-13-9-23(10-14(2)26-13)19(3,4)11-20-16(24)5-7-22-12-21-17-15(18(22)25)6-8-27-17/h6,8,12-14H,5,7,9-11H2,1-4H3,(H,20,24).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 392.53 g/mol, XLogP of 1.85, 6 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)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 24646222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).