6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one

C14H17N3O3S — CID 2886417

IUPAC6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)N2CCOCC2)C(c2cccs2)NC(=O)N1
InChIInChI=1S/C14H17N3O3S/c1-9-11(13(18)17-4-6-20-7-5-17)12(16-14(19)15-9)10-3-2-8-21-10/h2-3,8,12H,4-7H2,1H3,(H2,15,16,19)
InChIKeyDUBCBSQUFPAONG-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.23
Rot. Bonds2

About 6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one

6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 2886417) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is 6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID2886417
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Name6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)N2CCOCC2)C(c2cccs2)NC(=O)N1
InChIInChI=1S/C14H17N3O3S/c1-9-11(13(18)17-4-6-20-7-5-17)12(16-14(19)15-9)10-3-2-8-21-10/h2-3,8,12H,4-7H2,1H3,(H2,15,16,19)
InChIKeyDUBCBSQUFPAONG-UHFFFAOYSA-N
XLogP1.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one (CID 2886417) is 6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)N2CCOCC2)C(c2cccs2)NC(=O)N1.
What is the InChIKey of 6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is DUBCBSQUFPAONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-11(13(18)17-4-6-20-7-5-17)12(16-14(19)15-9)10-3-2-8-21-10/h2-3,8,12H,4-7H2,1H3,(H2,15,16,19).
What are the key properties of 6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 307.37 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(morpholine-4-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 2886417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).