8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one

C12H15N3O2 — CID 2827827

IUPAC8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2ccc(CN(C)C)c(O)c2n1
InChIInChI=1S/C12H15N3O2/c1-8-6-10(16)15-5-4-9(7-14(2)3)11(17)12(15)13-8/h4-6,17H,7H2,1-3H3
InChIKeyRGNHKJWHFIPHIM-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.77
Rot. Bonds2

About 8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one

8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 2827827) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID2827827
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2ccc(CN(C)C)c(O)c2n1
InChIInChI=1S/C12H15N3O2/c1-8-6-10(16)15-5-4-9(7-14(2)3)11(17)12(15)13-8/h4-6,17H,7H2,1-3H3
InChIKeyRGNHKJWHFIPHIM-UHFFFAOYSA-N
XLogP0.77
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 135448456
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CID 4021578
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CID 2827825
CID 2827825
CID 135419040
CID 135419040
CID 796646
CID 796646
CID 135403901
CID 135403901
CID 11819345
CID 11819345
CID 59532554
CID 59532554
CID 288320
CID 288320
CID 760815
CID 760815
CID 870036
CID 870036
CID 135426874
CID 135426874

Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 2827827) is 8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1.
What is the InChIKey of 8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RGNHKJWHFIPHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-6-10(16)15-5-4-9(7-14(2)3)11(17)12(15)13-8/h4-6,17H,7H2,1-3H3.
What are the key properties of 8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 233.27 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2827827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).