2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one

C13H23N3O — CID 63794734

IUPAC2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNC(C)C(C)C)c(C)n1
InChIInChI=1S/C13H23N3O/c1-9(2)11(4)14-6-7-16-12(5)15-10(3)8-13(16)17/h8-9,11,14H,6-7H2,1-5H3
InChIKeyVMHMHQRUUAVSJR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.49
Rot. Bonds5

About 2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one

2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one (PubChem CID 63794734) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one
PubChem CID63794734
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNC(C)C(C)C)c(C)n1
InChIInChI=1S/C13H23N3O/c1-9(2)11(4)14-6-7-16-12(5)15-10(3)8-13(16)17/h8-9,11,14H,6-7H2,1-5H3
InChIKeyVMHMHQRUUAVSJR-UHFFFAOYSA-N
XLogP1.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one (CID 63794734) is 2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one is Cc1cc(=O)n(CCNC(C)C(C)C)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one?
The InChIKey is VMHMHQRUUAVSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)11(4)14-6-7-16-12(5)15-10(3)8-13(16)17/h8-9,11,14H,6-7H2,1-5H3.
What are the key properties of 2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one?
2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one has a molecular weight of 237.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63794734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).