[5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

C14H20N6O — CID 91774026

IUPAC[5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCC(C)Nc1cc(N2CCn3nc(CO)cc3C2)ncn1
InChIInChI=1S/C14H20N6O/c1-10(2)17-13-6-14(16-9-15-13)19-3-4-20-12(7-19)5-11(8-21)18-20/h5-6,9-10,21H,3-4,7-8H2,1-2H3,(H,15,16,17)
InChIKeyXHLGRSJKPSYLDV-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.01
Rot. Bonds4

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

[5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91774026) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is [5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91774026
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name[5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCC(C)Nc1cc(N2CCn3nc(CO)cc3C2)ncn1
InChIInChI=1S/C14H20N6O/c1-10(2)17-13-6-14(16-9-15-13)19-3-4-20-12(7-19)5-11(8-21)18-20/h5-6,9-10,21H,3-4,7-8H2,1-2H3,(H,15,16,17)
InChIKeyXHLGRSJKPSYLDV-UHFFFAOYSA-N
XLogP1.01
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91774026) is [5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is CC(C)Nc1cc(N2CCn3nc(CO)cc3C2)ncn1.
What is the InChIKey of [5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is XHLGRSJKPSYLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10(2)17-13-6-14(16-9-15-13)19-3-4-20-12(7-19)5-11(8-21)18-20/h5-6,9-10,21H,3-4,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of [5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 288.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91774026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).