4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one

C11H18N4O2 — CID 136956037

IUPAC4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCN2CCOCC2)nc[nH]1
InChIInChI=1S/C11H18N4O2/c16-11-8-10(13-9-14-11)12-2-1-3-15-4-6-17-7-5-15/h8-9H,1-7H2,(H2,12,13,14,16)
InChIKeyWNXYWNJBCIPROP-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.10
Rot. Bonds5

About 4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one

4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one (PubChem CID 136956037) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
PubChem CID136956037
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCN2CCOCC2)nc[nH]1
InChIInChI=1S/C11H18N4O2/c16-11-8-10(13-9-14-11)12-2-1-3-15-4-6-17-7-5-15/h8-9H,1-7H2,(H2,12,13,14,16)
InChIKeyWNXYWNJBCIPROP-UHFFFAOYSA-N
XLogP-0.10
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one
CID 115656848
6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66325980
4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 137015708
4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79173434
4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957057
6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 117080618
6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282429
4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one
CID 135709667
N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine
CID 91579922
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664
6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
CID 63961941

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one (CID 136956037) is 4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one is O=c1cc(NCCCN2CCOCC2)nc[nH]1.
What is the InChIKey of 4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is WNXYWNJBCIPROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c16-11-8-10(13-9-14-11)12-2-1-3-15-4-6-17-7-5-15/h8-9H,1-7H2,(H2,12,13,14,16).
What are the key properties of 4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).