4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one

C12H19N3O2 — CID 135698514

IUPAC4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-3-4-10-9(2)13-12(14-11(10)16)15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,14,16)
InChIKeySAAFUCCUOHBTPB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.87
Rot. Bonds3

About 4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one

4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one (PubChem CID 135698514) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one
PubChem CID135698514
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-3-4-10-9(2)13-12(14-11(10)16)15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,14,16)
InChIKeySAAFUCCUOHBTPB-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one (CID 135698514) is 4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one is CCCc1c(C)nc(N2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one?
The InChIKey is SAAFUCCUOHBTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-4-10-9(2)13-12(14-11(10)16)15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,14,16).
What are the key properties of 4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one?
4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135698514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).