4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine

C14H20N6O — CID 29134822

IUPAC4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine
SMILESCn1ncc2c(N3CCCC3)nc(N3CCOCC3)nc21
InChIInChI=1S/C14H20N6O/c1-18-12-11(10-15-18)13(19-4-2-3-5-19)17-14(16-12)20-6-8-21-9-7-20/h10H,2-9H2,1H3
InChIKeyQJNUZBYUWJSMNC-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.80
Rot. Bonds2

About 4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine

4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine (PubChem CID 29134822) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine.

Molecular Properties

Compound Name4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine
PubChem CID29134822
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine
SMILESCn1ncc2c(N3CCCC3)nc(N3CCOCC3)nc21
InChIInChI=1S/C14H20N6O/c1-18-12-11(10-15-18)13(19-4-2-3-5-19)17-14(16-12)20-6-8-21-9-7-20/h10H,2-9H2,1H3
InChIKeyQJNUZBYUWJSMNC-UHFFFAOYSA-N
XLogP0.80
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine?
The IUPAC name of 4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine (CID 29134822) is 4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine.
What is the SMILES notation for 4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine?
The canonical SMILES for 4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine is Cn1ncc2c(N3CCCC3)nc(N3CCOCC3)nc21.
What is the InChIKey of 4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine?
The InChIKey is QJNUZBYUWJSMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-18-12-11(10-15-18)13(19-4-2-3-5-19)17-14(16-12)20-6-8-21-9-7-20/h10H,2-9H2,1H3.
What are the key properties of 4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine?
4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine has a molecular weight of 288.35 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)morpholine is sourced from PubChem (CID 29134822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).