5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione

C12H17N3O4 — CID 95219842

IUPAC5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCCC[C@H]1COCCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-2-3-8-7-19-5-4-15(8)11(17)9-6-13-12(18)14-10(9)16/h6,8H,2-5,7H2,1H3,(H2,13,14,16,18)/t8-/m0/s1
InChIKeyVPDIXZHRLGVPKR-QMMMGPOBSA-N
MW267.28 g/mol
LogP-0.30
Rot. Bonds3

About 5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione

5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 95219842) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID95219842
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCCC[C@H]1COCCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-2-3-8-7-19-5-4-15(8)11(17)9-6-13-12(18)14-10(9)16/h6,8H,2-5,7H2,1H3,(H2,13,14,16,18)/t8-/m0/s1
InChIKeyVPDIXZHRLGVPKR-QMMMGPOBSA-N
XLogP-0.30
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione (CID 95219842) is 5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione is CCC[C@H]1COCCN1C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is VPDIXZHRLGVPKR-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-3-8-7-19-5-4-15(8)11(17)9-6-13-12(18)14-10(9)16/h6,8H,2-5,7H2,1H3,(H2,13,14,16,18)/t8-/m0/s1.
What are the key properties of 5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione?
5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 267.28 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95219842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).