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

C16H27N3O2 — CID 135457110

IUPAC5-heptyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCCCCCCCc1c(C)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C16H27N3O2/c1-3-4-5-6-7-8-14-13(2)17-16(18-15(14)20)19-9-11-21-12-10-19/h3-12H2,1-2H3,(H,17,18,20)
InChIKeyMIEXTCFOSLOJFZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.43
Rot. Bonds7

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

5-heptyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 135457110) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-heptyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-heptyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID135457110
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name5-heptyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCCCCCCCc1c(C)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C16H27N3O2/c1-3-4-5-6-7-8-14-13(2)17-16(18-15(14)20)19-9-11-21-12-10-19/h3-12H2,1-2H3,(H,17,18,20)
InChIKeyMIEXTCFOSLOJFZ-UHFFFAOYSA-N
XLogP2.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-heptyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-heptyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 135457110) is 5-heptyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-heptyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-heptyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one is CCCCCCCc1c(C)nc(N2CCOCC2)[nH]c1=O.
What is the InChIKey of 5-heptyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is MIEXTCFOSLOJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-4-5-6-7-8-14-13(2)17-16(18-15(14)20)19-9-11-21-12-10-19/h3-12H2,1-2H3,(H,17,18,20).
What are the key properties of 5-heptyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
5-heptyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 293.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135457110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).