4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine

C12H18ClN5 — CID 124784815

IUPAC4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCN3CCCC[C@H]3C2)n1
InChIInChI=1S/C12H18ClN5/c13-10-7-11(16-12(14)15-10)18-6-5-17-4-2-1-3-9(17)8-18/h7,9H,1-6,8H2,(H2,14,15,16)/t9-/m0/s1
InChIKeyZTFJKNKZUYSTSJ-VIFPVBQESA-N
MW267.76 g/mol
LogP1.39
Rot. Bonds1

About 4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine

4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine (PubChem CID 124784815) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine
PubChem CID124784815
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCN3CCCC[C@H]3C2)n1
InChIInChI=1S/C12H18ClN5/c13-10-7-11(16-12(14)15-10)18-6-5-17-4-2-1-3-9(17)8-18/h7,9H,1-6,8H2,(H2,14,15,16)/t9-/m0/s1
InChIKeyZTFJKNKZUYSTSJ-VIFPVBQESA-N
XLogP1.39
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine
CID 80929260
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78918766
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565467
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-chloropyrimidin-2-amine
CID 112725444
4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine
CID 133395200
1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
CID 47151307
4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine
CID 31537614
(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
CID 94830339
1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
CID 72687128
1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one
CID 47420600
2-(6-chloropyridazin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 114478326
4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
CID 80735813

Frequently Asked Questions

What is the IUPAC name of 4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine?
The IUPAC name of 4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine (CID 124784815) is 4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine.
What is the SMILES notation for 4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine?
The canonical SMILES for 4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine is Nc1nc(Cl)cc(N2CCN3CCCC[C@H]3C2)n1.
What is the InChIKey of 4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine?
The InChIKey is ZTFJKNKZUYSTSJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18ClN5/c13-10-7-11(16-12(14)15-10)18-6-5-17-4-2-1-3-9(17)8-18/h7,9H,1-6,8H2,(H2,14,15,16)/t9-/m0/s1.
What are the key properties of 4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine?
4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine has a molecular weight of 267.76 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine is sourced from PubChem (CID 124784815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).