[5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

C14H20N6O — CID 91767157

IUPAC[5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCc1cnc(N2CCn3nc(CO)cc3C2)nc1N(C)C
InChIInChI=1S/C14H20N6O/c1-10-7-15-14(16-13(10)18(2)3)19-4-5-20-12(8-19)6-11(9-21)17-20/h6-7,21H,4-5,8-9H2,1-3H3
InChIKeyMXEMGRGOYNYTHG-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.56
Rot. Bonds3

About [5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

[5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91767157) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is [5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91767157
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name[5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCc1cnc(N2CCn3nc(CO)cc3C2)nc1N(C)C
InChIInChI=1S/C14H20N6O/c1-10-7-15-14(16-13(10)18(2)3)19-4-5-20-12(8-19)6-11(9-21)17-20/h6-7,21H,4-5,8-9H2,1-3H3
InChIKeyMXEMGRGOYNYTHG-UHFFFAOYSA-N
XLogP0.56
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91767157) is [5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is Cc1cnc(N2CCn3nc(CO)cc3C2)nc1N(C)C.
What is the InChIKey of [5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is MXEMGRGOYNYTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10-7-15-14(16-13(10)18(2)3)19-4-5-20-12(8-19)6-11(9-21)17-20/h6-7,21H,4-5,8-9H2,1-3H3.
What are the key properties of [5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 288.36 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91767157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).