5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one

C10H10ClN5O — CID 137009629

IUPAC5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCn3ccnc3C2)c1Cl
InChIInChI=1S/C10H10ClN5O/c11-8-9(13-6-14-10(8)17)16-4-3-15-2-1-12-7(15)5-16/h1-2,6H,3-5H2,(H,13,14,17)
InChIKeyLDIWRLKGDRVDBO-UHFFFAOYSA-N
MW251.68 g/mol
LogP0.64
Rot. Bonds1

About 5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one

5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one (PubChem CID 137009629) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one
PubChem CID137009629
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCn3ccnc3C2)c1Cl
InChIInChI=1S/C10H10ClN5O/c11-8-9(13-6-14-10(8)17)16-4-3-15-2-1-12-7(15)5-16/h1-2,6H,3-5H2,(H,13,14,17)
InChIKeyLDIWRLKGDRVDBO-UHFFFAOYSA-N
XLogP0.64
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one (CID 137009629) is 5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCn3ccnc3C2)c1Cl.
What is the InChIKey of 5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one?
The InChIKey is LDIWRLKGDRVDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c11-8-9(13-6-14-10(8)17)16-4-3-15-2-1-12-7(15)5-16/h1-2,6H,3-5H2,(H,13,14,17).
What are the key properties of 5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one?
5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one has a molecular weight of 251.68 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137009629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).