(9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

C11H15ClN4O — CID 138543962

IUPAC(9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESClc1cc(N2CCN3CCOC[C@@H]3C2)ncn1
InChIInChI=1S/C11H15ClN4O/c12-10-5-11(14-8-13-10)16-2-1-15-3-4-17-7-9(15)6-16/h5,8-9H,1-4,6-7H2/t9-/m0/s1
InChIKeyNLGWRBIICBRRLG-VIFPVBQESA-N
MW254.72 g/mol
LogP0.65
Rot. Bonds1

About (9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

(9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (PubChem CID 138543962) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is (9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
PubChem CID138543962
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name(9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESClc1cc(N2CCN3CCOC[C@@H]3C2)ncn1
InChIInChI=1S/C11H15ClN4O/c12-10-5-11(14-8-13-10)16-2-1-15-3-4-17-7-9(15)6-16/h5,8-9H,1-4,6-7H2/t9-/m0/s1
InChIKeyNLGWRBIICBRRLG-VIFPVBQESA-N
XLogP0.65
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine
CID 22309538
4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 133484407
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11291813
4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
CID 61277750
4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine
CID 124832471
(8aR)-2-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129429947
6-(6-chloropyrimidin-4-yl)-3-oxa-6-azabicyclo[3.1.1]heptane
CID 121201243
(9aS)-8-(4-methylphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 171622300
4-[1-(6-ethylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 172905311
(2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid
CID 175148937
4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine
CID 71846233
(9aS)-8-(4-bromophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 170554889

Frequently Asked Questions

What is the IUPAC name of (9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The IUPAC name of (9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (CID 138543962) is (9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for (9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for (9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is Clc1cc(N2CCN3CCOC[C@@H]3C2)ncn1.
What is the InChIKey of (9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The InChIKey is NLGWRBIICBRRLG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15ClN4O/c12-10-5-11(14-8-13-10)16-2-1-15-3-4-17-7-9(15)6-16/h5,8-9H,1-4,6-7H2/t9-/m0/s1.
What are the key properties of (9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
(9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine has a molecular weight of 254.72 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 138543962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).