6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C12H17N5O2 — CID 137272160

IUPAC6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(CC1CCCCO1)c1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C12H17N5O2/c1-17(7-8-4-2-3-5-19-8)12-14-10-9(6-13-16-10)11(18)15-12/h6,8H,2-5,7H2,1H3,(H2,13,14,15,16,18)
InChIKeyAYZRDNXJMZETOB-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.65
Rot. Bonds3

About 6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137272160) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137272160
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(CC1CCCCO1)c1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C12H17N5O2/c1-17(7-8-4-2-3-5-19-8)12-14-10-9(6-13-16-10)11(18)15-12/h6,8H,2-5,7H2,1H3,(H2,13,14,15,16,18)
InChIKeyAYZRDNXJMZETOB-UHFFFAOYSA-N
XLogP0.65
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137272160) is 6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CN(CC1CCCCO1)c1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AYZRDNXJMZETOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-17(7-8-4-2-3-5-19-8)12-14-10-9(6-13-16-10)11(18)15-12/h6,8H,2-5,7H2,1H3,(H2,13,14,15,16,18).
What are the key properties of 6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 263.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(oxan-2-ylmethyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137272160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).