N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C15H22N4O2S — CID 119608766

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCC(C)C(C)(CN)NC(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C15H22N4O2S/c1-10(2)15(3,8-16)18-12(20)4-6-19-9-17-13-11(14(19)21)5-7-22-13/h5,7,9-10H,4,6,8,16H2,1-3H3,(H,18,20)
InChIKeyZPVYIFTVQKHSIM-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.34
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 119608766) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID119608766
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCC(C)C(C)(CN)NC(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C15H22N4O2S/c1-10(2)15(3,8-16)18-12(20)4-6-19-9-17-13-11(14(19)21)5-7-22-13/h5,7,9-10H,4,6,8,16H2,1-3H3,(H,18,20)
InChIKeyZPVYIFTVQKHSIM-UHFFFAOYSA-N
XLogP1.34
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 119608766) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is CC(C)C(C)(CN)NC(=O)CCn1cnc2sccc2c1=O.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is ZPVYIFTVQKHSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-10(2)15(3,8-16)18-12(20)4-6-19-9-17-13-11(14(19)21)5-7-22-13/h5,7,9-10H,4,6,8,16H2,1-3H3,(H,18,20).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 322.43 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 119608766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).