4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one

C12H19N3O2 — CID 135486292

IUPAC4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(CN2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-9(2)12-13-10(7-11(16)14-12)8-15-3-5-17-6-4-15/h7,9H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyMTHPRLUNOXFHAU-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.73
Rot. Bonds3

About 4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135486292) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135486292
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(CN2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-9(2)12-13-10(7-11(16)14-12)8-15-3-5-17-6-4-15/h7,9H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyMTHPRLUNOXFHAU-UHFFFAOYSA-N
XLogP0.73
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 135486292) is 4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(CN2CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MTHPRLUNOXFHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)12-13-10(7-11(16)14-12)8-15-3-5-17-6-4-15/h7,9H,3-6,8H2,1-2H3,(H,13,14,16).
What are the key properties of 4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135486292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).