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

C14H23N3O2 — CID 135462710

IUPAC4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
SMILESCCCCCc1c(C)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-3-4-5-6-12-11(2)15-14(16-13(12)18)17-7-9-19-10-8-17/h3-10H2,1-2H3,(H,15,16,18)
InChIKeyNITYAFOQKVAXBQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.65
Rot. Bonds5

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

4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one (PubChem CID 135462710) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
PubChem CID135462710
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
SMILESCCCCCc1c(C)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-3-4-5-6-12-11(2)15-14(16-13(12)18)17-7-9-19-10-8-17/h3-10H2,1-2H3,(H,15,16,18)
InChIKeyNITYAFOQKVAXBQ-UHFFFAOYSA-N
XLogP1.65
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.65
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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Related Compounds

5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135491325
5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 137288209
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-hexyl-4-methyl-1H-pyrimidin-6-one
CID 136689559
2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one
CID 135762180
N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137302255
2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid
CID 136990446
N-cyclohexyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137278239
2-[butan-2-yl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]acetic acid
CID 137108633
5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136679122
(2S,3S)-3-methyl-2-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid
CID 136990426
N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-phenylpropanamide
CID 135877201
4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 135667510

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one (CID 135462710) is 4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one is CCCCCc1c(C)nc(N2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one?
The InChIKey is NITYAFOQKVAXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-4-5-6-12-11(2)15-14(16-13(12)18)17-7-9-19-10-8-17/h3-10H2,1-2H3,(H,15,16,18).
What are the key properties of 4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one?
4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.65, 5 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-pentyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135462710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).