7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C10H13ClN6O — CID 79091486

IUPAC7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1c(Cl)ncnc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C10H13ClN6O/c11-8-7(12)9(15-5-14-8)16-1-2-17-6(4-16)3-13-10(17)18/h5-6H,1-4,12H2,(H,13,18)
InChIKeyIPNPBKQSTUYHGO-UHFFFAOYSA-N
MW268.71 g/mol
LogP-0.07
Rot. Bonds1

About 7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091486) has the molecular formula C10H13ClN6O and a molecular weight of 268.71 g/mol. Its IUPAC name is 7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091486
Molecular FormulaC10H13ClN6O
Molecular Weight268.71 g/mol
Exact Mass268.08
IUPAC Name7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1c(Cl)ncnc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C10H13ClN6O/c11-8-7(12)9(15-5-14-8)16-1-2-17-6(4-16)3-13-10(17)18/h5-6H,1-4,12H2,(H,13,18)
InChIKeyIPNPBKQSTUYHGO-UHFFFAOYSA-N
XLogP-0.07
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091486) is 7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Nc1c(Cl)ncnc1N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is IPNPBKQSTUYHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O/c11-8-7(12)9(15-5-14-8)16-1-2-17-6(4-16)3-13-10(17)18/h5-6H,1-4,12H2,(H,13,18).
What are the key properties of 7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 268.71 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).