N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C14H19N3O3S — CID 111695480

IUPACN-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCC(O)CCN(C)C(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C14H19N3O3S/c1-10(18)3-6-16(2)12(19)4-7-17-9-15-13-11(14(17)20)5-8-21-13/h5,8-10,18H,3-4,6-7H2,1-2H3
InChIKeyRJDMSCJUNPKBGC-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.08
Rot. Bonds6

About N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 111695480) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID111695480
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCC(O)CCN(C)C(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C14H19N3O3S/c1-10(18)3-6-16(2)12(19)4-7-17-9-15-13-11(14(17)20)5-8-21-13/h5,8-10,18H,3-4,6-7H2,1-2H3
InChIKeyRJDMSCJUNPKBGC-UHFFFAOYSA-N
XLogP1.08
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 110886024
3-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl-propan-2-ylamino]propanoic acid
CID 119207447
N-(1-aminopropan-2-yl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride
CID 119584978
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 29467754
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 134004002
3-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 60988516
N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 75441943
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 47017399
methyl 3-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoate
CID 61244486
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 39467752
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 26065396
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55595128

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 111695480) is N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is CC(O)CCN(C)C(=O)CCn1cnc2sccc2c1=O.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is RJDMSCJUNPKBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10(18)3-6-16(2)12(19)4-7-17-9-15-13-11(14(17)20)5-8-21-13/h5,8-10,18H,3-4,6-7H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 309.39 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 111695480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).