3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C20H26N4O3 — CID 134697530

IUPAC3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC[C@H]1COC[C@H]2CN(C(=O)c3cnc4cccc(C)n4c3=O)CCN12
InChIInChI=1S/C20H26N4O3/c1-3-5-15-12-27-13-16-11-22(8-9-23(15)16)19(25)17-10-21-18-7-4-6-14(2)24(18)20(17)26/h4,6-7,10,15-16H,3,5,8-9,11-13H2,1-2H3/t15-,16+/m0/s1
InChIKeyDOJCPLRPPKZSKU-JKSUJKDBSA-N
MW370.45 g/mol
LogP1.33
Rot. Bonds3

About 3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 134697530) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID134697530
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC[C@H]1COC[C@H]2CN(C(=O)c3cnc4cccc(C)n4c3=O)CCN12
InChIInChI=1S/C20H26N4O3/c1-3-5-15-12-27-13-16-11-22(8-9-23(15)16)19(25)17-10-21-18-7-4-6-14(2)24(18)20(17)26/h4,6-7,10,15-16H,3,5,8-9,11-13H2,1-2H3/t15-,16+/m0/s1
InChIKeyDOJCPLRPPKZSKU-JKSUJKDBSA-N
XLogP1.33
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-{1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)carbonyl]-3-piperidinyl}-1-piperazinecarboxylate
CID 45182102
3-(2,3,4a,5,6,7,8,8a-Octahydrobenzo[b][1,4]oxazine-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 56814312
3-{[2-(4-morpholinylmethyl)-1-piperidinyl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70751315
3-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70784898
3-{[4-(3-methoxypropyl)piperazin-1-yl]carbonyl}-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 74237899
3-(3-Ethylmorpholine-4-carbonyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 77919721
3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94103055
3-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94103056
3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94103057
3-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94103058
ethyl 4-[(3R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 94592480
ethyl 4-[(3S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 94592481

Frequently Asked Questions

What is the IUPAC name of 3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 134697530) is 3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is CCC[C@H]1COC[C@H]2CN(C(=O)c3cnc4cccc(C)n4c3=O)CCN12.
What is the InChIKey of 3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DOJCPLRPPKZSKU-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-5-15-12-27-13-16-11-22(8-9-23(15)16)19(25)17-10-21-18-7-4-6-14(2)24(18)20(17)26/h4,6-7,10,15-16H,3,5,8-9,11-13H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of 3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 370.45 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 134697530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).