1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C10H13N5O2 — CID 135436424

IUPAC1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(N3CCOCC3)nc21
InChIInChI=1S/C10H13N5O2/c1-14-8-7(6-11-14)9(16)13-10(12-8)15-2-4-17-5-3-15/h6H,2-5H2,1H3,(H,12,13,16)
InChIKeyMMPIKHRHDYOMDB-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.51
Rot. Bonds1

About 1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135436424) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135436424
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(N3CCOCC3)nc21
InChIInChI=1S/C10H13N5O2/c1-14-8-7(6-11-14)9(16)13-10(12-8)15-2-4-17-5-3-15/h6H,2-5H2,1H3,(H,12,13,16)
InChIKeyMMPIKHRHDYOMDB-UHFFFAOYSA-N
XLogP-0.51
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135436424) is 1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(N3CCOCC3)nc21.
What is the InChIKey of 1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MMPIKHRHDYOMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-14-8-7(6-11-14)9(16)13-10(12-8)15-2-4-17-5-3-15/h6H,2-5H2,1H3,(H,12,13,16).
What are the key properties of 1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 235.25 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-morpholin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135436424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).