4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one

C12H21N3O — CID 62564322

IUPAC4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNCC(C)C)c(=O)n1
InChIInChI=1S/C12H21N3O/c1-9(2)8-13-5-6-15-11(4)7-10(3)14-12(15)16/h7,9,13H,5-6,8H2,1-4H3
InChIKeyWFDDZGXGCGKMSE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.11
Rot. Bonds5

About 4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one

4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one (PubChem CID 62564322) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one
PubChem CID62564322
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNCC(C)C)c(=O)n1
InChIInChI=1S/C12H21N3O/c1-9(2)8-13-5-6-15-11(4)7-10(3)14-12(15)16/h7,9,13H,5-6,8H2,1-4H3
InChIKeyWFDDZGXGCGKMSE-UHFFFAOYSA-N
XLogP1.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.11
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 4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one (CID 62564322) is 4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one is Cc1cc(C)n(CCNCC(C)C)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one?
The InChIKey is WFDDZGXGCGKMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)8-13-5-6-15-11(4)7-10(3)14-12(15)16/h7,9,13H,5-6,8H2,1-4H3.
What are the key properties of 4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one?
4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[2-(2-methylpropylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 62564322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).