2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C20H22N2O2 — CID 2117047

IUPAC2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC[C@H](C)c1ccccc1OCc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C20H22N2O2/c1-4-15(3)17-7-5-6-8-18(17)24-13-16-11-20(23)22-12-14(2)9-10-19(22)21-16/h5-12,15H,4,13H2,1-3H3/t15-/m0/s1
InChIKeyZJLRGLOBTUSCEA-HNNXBMFYSA-N
MW322.41 g/mol
LogP4.10
Rot. Bonds5

About 2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 2117047) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID2117047
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC[C@H](C)c1ccccc1OCc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C20H22N2O2/c1-4-15(3)17-7-5-6-8-18(17)24-13-16-11-20(23)22-12-14(2)9-10-19(22)21-16/h5-12,15H,4,13H2,1-3H3/t15-/m0/s1
InChIKeyZJLRGLOBTUSCEA-HNNXBMFYSA-N
XLogP4.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-methyl-2-[(2-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42904358
N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 46356819
1-(2,3-dimethylphenyl)-3-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356537
(2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide
CID 92876319
2-[(2,4-dichlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 7678957
2-[(4-chlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2363789
1-(3,5-dimethoxyphenyl)-3-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356557
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzylbutanoate
CID 166203540
ethyl 4-[[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356548
N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]cyclohexanecarboxamide
CID 46356506
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-methoxyphenoxy)propanoate
CID 42915178
2-[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 55308304

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 2117047) is 2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is CC[C@H](C)c1ccccc1OCc1cc(=O)n2cc(C)ccc2n1.
What is the InChIKey of 2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZJLRGLOBTUSCEA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-15(3)17-7-5-6-8-18(17)24-13-16-11-20(23)22-12-14(2)9-10-19(22)21-16/h5-12,15H,4,13H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 322.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2117047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).