2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one

C15H18N4O3 — CID 135873140

IUPAC2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one
SMILESC=CCc1c(O)nc2nc(N3CCOCC3)cc(C)n2c1=O
InChIInChI=1S/C15H18N4O3/c1-3-4-11-13(20)17-15-16-12(18-5-7-22-8-6-18)9-10(2)19(15)14(11)21/h3,9,20H,1,4-8H2,2H3
InChIKeyWFUNZRZTABCKQT-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.67
Rot. Bonds3

About 2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one

2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one (PubChem CID 135873140) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one
PubChem CID135873140
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one
SMILESC=CCc1c(O)nc2nc(N3CCOCC3)cc(C)n2c1=O
InChIInChI=1S/C15H18N4O3/c1-3-4-11-13(20)17-15-16-12(18-5-7-22-8-6-18)9-10(2)19(15)14(11)21/h3,9,20H,1,4-8H2,2H3
InChIKeyWFUNZRZTABCKQT-UHFFFAOYSA-N
XLogP0.67
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one (CID 135873140) is 2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one is C=CCc1c(O)nc2nc(N3CCOCC3)cc(C)n2c1=O.
What is the InChIKey of 2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is WFUNZRZTABCKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-4-11-13(20)17-15-16-12(18-5-7-22-8-6-18)9-10(2)19(15)14(11)21/h3,9,20H,1,4-8H2,2H3.
What are the key properties of 2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one?
2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 302.33 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methyl-8-morpholin-4-yl-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135873140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).