3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one

C12H21N3O — CID 63768301

IUPAC3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one
SMILESCCNC(Cn1cnccc1=O)C(C)(C)C
InChIInChI=1S/C12H21N3O/c1-5-14-10(12(2,3)4)8-15-9-13-7-6-11(15)16/h6-7,9-10,14H,5,8H2,1-4H3
InChIKeyVMPGLIPQFVQSRV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.27
Rot. Bonds4

About 3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one

3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one (PubChem CID 63768301) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one
PubChem CID63768301
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one
SMILESCCNC(Cn1cnccc1=O)C(C)(C)C
InChIInChI=1S/C12H21N3O/c1-5-14-10(12(2,3)4)8-15-9-13-7-6-11(15)16/h6-7,9-10,14H,5,8H2,1-4H3
InChIKeyVMPGLIPQFVQSRV-UHFFFAOYSA-N
XLogP1.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one (CID 63768301) is 3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one is CCNC(Cn1cnccc1=O)C(C)(C)C.
What is the InChIKey of 3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one?
The InChIKey is VMPGLIPQFVQSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-14-10(12(2,3)4)8-15-9-13-7-6-11(15)16/h6-7,9-10,14H,5,8H2,1-4H3.
What are the key properties of 3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one?
3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one has a molecular weight of 223.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-3,3-dimethylbutyl]pyrimidin-4-one is sourced from PubChem (CID 63768301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).