1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione

C12H19N3O3 — CID 64533566

IUPAC1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
SMILESCC(C)N1CCOC(Cn2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C12H19N3O3/c1-9(2)14-5-6-18-10(7-14)8-15-4-3-11(16)13-12(15)17/h3-4,9-10H,5-8H2,1-2H3,(H,13,16,17)
InChIKeyNWOLJWDENMPGBC-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.35
Rot. Bonds3

About 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione

1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione (PubChem CID 64533566) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
PubChem CID64533566
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
SMILESCC(C)N1CCOC(Cn2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C12H19N3O3/c1-9(2)14-5-6-18-10(7-14)8-15-4-3-11(16)13-12(15)17/h3-4,9-10H,5-8H2,1-2H3,(H,13,16,17)
InChIKeyNWOLJWDENMPGBC-UHFFFAOYSA-N
XLogP-0.35
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione (CID 64533566) is 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione is CC(C)N1CCOC(Cn2ccc(=O)[nH]c2=O)C1.
What is the InChIKey of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is NWOLJWDENMPGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(2)14-5-6-18-10(7-14)8-15-4-3-11(16)13-12(15)17/h3-4,9-10H,5-8H2,1-2H3,(H,13,16,17).
What are the key properties of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione?
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 253.30 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 64533566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).