4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one

C12H21N3O2 — CID 136824091

IUPAC4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCOCC(Nc1cc(=O)[nH]c(C)n1)C(C)C
InChIInChI=1S/C12H21N3O2/c1-5-17-7-10(8(2)3)15-11-6-12(16)14-9(4)13-11/h6,8,10H,5,7H2,1-4H3,(H2,13,14,15,16)
InChIKeyJTUBPEGDSLUSQE-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.55
Rot. Bonds6

About 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136824091) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136824091
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCOCC(Nc1cc(=O)[nH]c(C)n1)C(C)C
InChIInChI=1S/C12H21N3O2/c1-5-17-7-10(8(2)3)15-11-6-12(16)14-9(4)13-11/h6,8,10H,5,7H2,1-4H3,(H2,13,14,15,16)
InChIKeyJTUBPEGDSLUSQE-UHFFFAOYSA-N
XLogP1.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975765
4-[2-(2,2-difluoroethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136999737
4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241885
2-propan-2-yl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 113604863
2-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 113604868
4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586300
4-[2-(ethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586329
2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586382
4-(2-but-3-enoxyethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136690722
2-methyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706919
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136723588
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723591

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136824091) is 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one is CCOCC(Nc1cc(=O)[nH]c(C)n1)C(C)C.
What is the InChIKey of 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is JTUBPEGDSLUSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-17-7-10(8(2)3)15-11-6-12(16)14-9(4)13-11/h6,8,10H,5,7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136824091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).