4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one

C10H17N3O2 — CID 136956385

IUPAC4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCOCC(C)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O2/c1-4-15-6-7(2)11-9-5-10(14)13-8(3)12-9/h5,7H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyVIQYUDXFSYQBMM-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.92
Rot. Bonds5

About 4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one

4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956385) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136956385
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCOCC(C)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O2/c1-4-15-6-7(2)11-9-5-10(14)13-8(3)12-9/h5,7H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyVIQYUDXFSYQBMM-UHFFFAOYSA-N
XLogP0.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,2-difluoroethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136896828
4-[2-(2,2-difluoroethoxy)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136896836
2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956679
2-ethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975762
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-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 167804464
2-Amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525154
6-Amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 59073654
2,3-Dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-one
CID 91194580
4-Hydroxy-2-methyl-6-morpholinopyrimidine
CID 135592113
2-(1-Aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one
CID 84700722

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one (CID 136956385) is 4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one is CCOCC(C)Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VIQYUDXFSYQBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-6-7(2)11-9-5-10(14)13-8(3)12-9/h5,7H,4,6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).