4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one

C12H21N3O — CID 136958004

IUPAC4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCC(C)CN(CC)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H21N3O/c1-5-9(3)8-15(6-2)11-7-12(16)14-10(4)13-11/h7,9H,5-6,8H2,1-4H3,(H,13,14,16)
InChIKeyGGBTYJKFDIRMKR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.95
Rot. Bonds5

About 4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136958004) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136958004
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCC(C)CN(CC)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H21N3O/c1-5-9(3)8-15(6-2)11-7-12(16)14-10(4)13-11/h7,9H,5-6,8H2,1-4H3,(H,13,14,16)
InChIKeyGGBTYJKFDIRMKR-UHFFFAOYSA-N
XLogP1.95
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 137015594
N-ethyl-2-[ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 137015619
4-[2-hydroxyethyl(pentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136979604
4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136957646
4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957917
6-N-ethyl-6-N-(2-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071217
4-[cyclopropylmethyl(propyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957507
4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80849332
4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80941500
4-ethyl-2-methyl-1H-pyrimidin-6-one;propane
CID 171619241
4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959806
N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine
CID 79470870

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136958004) is 4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one is CCC(C)CN(CC)c1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is GGBTYJKFDIRMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-9(3)8-15(6-2)11-7-12(16)14-10(4)13-11/h7,9H,5-6,8H2,1-4H3,(H,13,14,16).
What are the key properties of 4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 223.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136958004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).