6-Methyl-2-(morpholin-4-yl)-5-pentylpyrimidin-4-ol

C14H23N3O2 — CID 135462710

IUPAC4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
SMILESCCCCCC1=C(N=C(NC1=O)N2CCOCC2)C
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
MW265.35 g/mol
LogP1.70
Rot. Bonds5

About 6-Methyl-2-(morpholin-4-yl)-5-pentylpyrimidin-4-ol

6-Methyl-2-(morpholin-4-yl)-5-pentylpyrimidin-4-ol (PubChem CID 135462710) has the molecular formula C14H23N3O2 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name6-Methyl-2-(morpholin-4-yl)-5-pentylpyrimidin-4-ol
PubChem CID135462710
Molecular FormulaC14H23N3O2
Molecular Weight265.35 g/mol
Exact Mass265.18
IUPAC Name4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
SMILESCCCCCC1=C(N=C(NC1=O)N2CCOCC2)C
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
XLogP1.70
TPSA53.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity395

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Quinazolinol, 5,6,7,8-tetrahydro-2-(4-methyl-1-piperazinyl)-
CID 135417158
4-Quinazolinol, 5,6,7,8-tetrahydro-2-morpholino-
CID 135400109
5,6,7,8-Tetrahydro-2-(1-piperidinyl)-4(3H)-quinazolinone
CID 135417546
2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135417580
5-Heptyl-6-methyl-2-(4-morpholinyl)-4-pyrimidinol
CID 135457110
5-Ethyl-6-methyl-2-morpholinopyrimidin-4-ol
CID 135402562
6-Methyl-5-(3-methylbutyl)-2-(morpholin-4-yl)pyrimidin-4-ol
CID 135472941
5H-Cyclopentapyrimidin-4-ol, 6,7-dihydro-2-morpholino-
CID 135574828
5H-Cycloheptapyrimidin-4-ol, 6,7,8,9-tetrahydro-2-(4-methyl-1-piperazinyl)-
CID 135618186
5H-Cycloheptapyrimidin-4-ol, 6,7,8,9-tetrahydro-2-piperidino-
CID 135618189
7-Methyl-2-(morpholin-4-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136880723
5-Butyl-6-methyl-2-(morpholin-4-YL)pyrimidin-4-OL
CID 135538450

Frequently Asked Questions

What is the IUPAC name of 6-Methyl-2-(morpholin-4-yl)-5-pentylpyrimidin-4-ol?
The IUPAC name of 6-Methyl-2-(morpholin-4-yl)-5-pentylpyrimidin-4-ol (CID 135462710) is 4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 6-Methyl-2-(morpholin-4-yl)-5-pentylpyrimidin-4-ol?
The canonical SMILES for 6-Methyl-2-(morpholin-4-yl)-5-pentylpyrimidin-4-ol is CCCCCC1=C(N=C(NC1=O)N2CCOCC2)C.
What is the InChIKey of 6-Methyl-2-(morpholin-4-yl)-5-pentylpyrimidin-4-ol?
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 6-Methyl-2-(morpholin-4-yl)-5-pentylpyrimidin-4-ol?
6-Methyl-2-(morpholin-4-yl)-5-pentylpyrimidin-4-ol has a molecular weight of 265.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Methyl-2-(morpholin-4-yl)-5-pentylpyrimidin-4-ol is sourced from PubChem (CID 135462710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).