7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C20H23N5O2 — CID 142076442

IUPAC7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(NC2=NC=CC=CC2C)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C20H23N5O2/c1-14-11-16(22-19-15(2)5-3-4-6-21-19)20-23-17(12-18(26)25(20)13-14)24-7-9-27-10-8-24/h3-6,11-13,15H,7-10H2,1-2H3,(H,21,22)
InChIKeyLYCLTYQJADVDPF-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.37
Rot. Bonds2

About 7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 142076442) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID142076442
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(NC2=NC=CC=CC2C)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C20H23N5O2/c1-14-11-16(22-19-15(2)5-3-4-6-21-19)20-23-17(12-18(26)25(20)13-14)24-7-9-27-10-8-24/h3-6,11-13,15H,7-10H2,1-2H3,(H,21,22)
InChIKeyLYCLTYQJADVDPF-UHFFFAOYSA-N
XLogP2.37
TPSA71.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 142076442) is 7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(NC2=NC=CC=CC2C)c2nc(N3CCOCC3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LYCLTYQJADVDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-11-16(22-19-15(2)5-3-4-6-21-19)20-23-17(12-18(26)25(20)13-14)24-7-9-27-10-8-24/h3-6,11-13,15H,7-10H2,1-2H3,(H,21,22).
What are the key properties of 7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 365.44 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-[(3-methyl-3H-azepin-2-yl)amino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142076442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).