2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C19H28N4O2 — CID 56910825

IUPAC2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN3CCCC(O)(CN(C)C)CC3)cc(=O)n12
InChIInChI=1S/C19H28N4O2/c1-15-6-4-7-17-20-16(12-18(24)23(15)17)13-22-10-5-8-19(25,9-11-22)14-21(2)3/h4,6-7,12,25H,5,8-11,13-14H2,1-3H3
InChIKeyDXHVOYULILZQGM-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.28
Rot. Bonds4

About 2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 56910825) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID56910825
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN3CCCC(O)(CN(C)C)CC3)cc(=O)n12
InChIInChI=1S/C19H28N4O2/c1-15-6-4-7-17-20-16(12-18(24)23(15)17)13-22-10-5-8-19(25,9-11-22)14-21(2)3/h4,6-7,12,25H,5,8-11,13-14H2,1-3H3
InChIKeyDXHVOYULILZQGM-UHFFFAOYSA-N
XLogP1.28
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 56910825) is 2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CN3CCCC(O)(CN(C)C)CC3)cc(=O)n12.
What is the InChIKey of 2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DXHVOYULILZQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15-6-4-7-17-20-16(12-18(24)23(15)17)13-22-10-5-8-19(25,9-11-22)14-21(2)3/h4,6-7,12,25H,5,8-11,13-14H2,1-3H3.
What are the key properties of 2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 344.46 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56910825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).