4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one

C12H21N3O3 — CID 136864256

IUPAC4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(CC)(CO)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H21N3O3/c1-4-12(5-2,7-16)6-13-10-9(18-3)11(17)15-8-14-10/h8,16H,4-7H2,1-3H3,(H2,13,14,15,17)
InChIKeyHNZMRMZSXVOMMA-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.99
Rot. Bonds7

About 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one

4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136864256) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136864256
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(CC)(CO)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H21N3O3/c1-4-12(5-2,7-16)6-13-10-9(18-3)11(17)15-8-14-10/h8,16H,4-7H2,1-3H3,(H2,13,14,15,17)
InChIKeyHNZMRMZSXVOMMA-UHFFFAOYSA-N
XLogP0.99
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906
5-amino-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864257
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136999429
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 137003215
N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 136975775
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399
4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137008774
4-[(2-hydroxy-3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136977261
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide
CID 136870165
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one (CID 136864256) is 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one is CCC(CC)(CO)CNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is HNZMRMZSXVOMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-12(5-2,7-16)6-13-10-9(18-3)11(17)15-8-14-10/h8,16H,4-7H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one?
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 255.32 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136864256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).