3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one

C10H17N3O — CID 63795090

IUPAC3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one
SMILESCC(C)CNCCn1cnccc1=O
InChIInChI=1S/C10H17N3O/c1-9(2)7-11-5-6-13-8-12-4-3-10(13)14/h3-4,8-9,11H,5-7H2,1-2H3
InChIKeyRVLQCHCOCQGXTF-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.49
Rot. Bonds5

About 3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one

3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one (PubChem CID 63795090) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one
PubChem CID63795090
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one
SMILESCC(C)CNCCn1cnccc1=O
InChIInChI=1S/C10H17N3O/c1-9(2)7-11-5-6-13-8-12-4-3-10(13)14/h3-4,8-9,11H,5-7H2,1-2H3
InChIKeyRVLQCHCOCQGXTF-UHFFFAOYSA-N
XLogP0.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one (CID 63795090) is 3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one is CC(C)CNCCn1cnccc1=O.
What is the InChIKey of 3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one?
The InChIKey is RVLQCHCOCQGXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-9(2)7-11-5-6-13-8-12-4-3-10(13)14/h3-4,8-9,11H,5-7H2,1-2H3.
What are the key properties of 3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one?
3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one has a molecular weight of 195.27 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63795090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).