bis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one

C18H33N5O — CID 134564413

IUPACbis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCN(CC)CC.CCN(CC)CC.O=C1N=CN=C2N=CC=C12
InChIInChI=1S/C6H3N3O.2C6H15N/c10-6-4-1-2-7-5(4)8-3-9-6;2*1-4-7(5-2)6-3/h1-3H;2*4-6H2,1-3H3
InChIKeyKEAGQNWFVLHIAR-UHFFFAOYSA-N
MW335.50 g/mol
LogP2.66
Rot. Bonds6

About bis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one

bis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 134564413) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is bis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Namebis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID134564413
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC Namebis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCN(CC)CC.CCN(CC)CC.O=C1N=CN=C2N=CC=C12
InChIInChI=1S/C6H3N3O.2C6H15N/c10-6-4-1-2-7-5(4)8-3-9-6;2*1-4-7(5-2)6-3/h1-3H;2*4-6H2,1-3H3
InChIKeyKEAGQNWFVLHIAR-UHFFFAOYSA-N
XLogP2.66
TPSA60.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of bis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one (CID 134564413) is bis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for bis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for bis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one is CCN(CC)CC.CCN(CC)CC.O=C1N=CN=C2N=CC=C12.
What is the InChIKey of bis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is KEAGQNWFVLHIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O.2C6H15N/c10-6-4-1-2-7-5(4)8-3-9-6;2*1-4-7(5-2)6-3/h1-3H;2*4-6H2,1-3H3.
What are the key properties of bis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one?
bis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 335.50 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-diethylethanamine);pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 134564413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).