[4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol

C13H20N6O2 — CID 102939124

IUPAC[4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
SMILESCCNc1nc(N2CC(C)OC(CO)C2)c2cn[nH]c2n1
InChIInChI=1S/C13H20N6O2/c1-3-14-13-16-11-10(4-15-18-11)12(17-13)19-5-8(2)21-9(6-19)7-20/h4,8-9,20H,3,5-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyXMPKTYQIGBSFCE-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.37
Rot. Bonds4

About [4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol

[4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102939124) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is [4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
PubChem CID102939124
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name[4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
SMILESCCNc1nc(N2CC(C)OC(CO)C2)c2cn[nH]c2n1
InChIInChI=1S/C13H20N6O2/c1-3-14-13-16-11-10(4-15-18-11)12(17-13)19-5-8(2)21-9(6-19)7-20/h4,8-9,20H,3,5-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyXMPKTYQIGBSFCE-UHFFFAOYSA-N
XLogP0.37
TPSA99.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol (CID 102939124) is [4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol is CCNc1nc(N2CC(C)OC(CO)C2)c2cn[nH]c2n1.
What is the InChIKey of [4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is XMPKTYQIGBSFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-3-14-13-16-11-10(4-15-18-11)12(17-13)19-5-8(2)21-9(6-19)7-20/h4,8-9,20H,3,5-7H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of [4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol?
[4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 292.34 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102939124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).