4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one

C11H19N3O2 — CID 136820290

IUPAC4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC(C)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-7(2)11-13-9(5-10(15)14-11)12-6-8(3)16-4/h5,7-8H,6H2,1-4H3,(H2,12,13,14,15)
InChIKeyYANIYIBNORUGHG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.34
Rot. Bonds5

About 4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one

4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136820290) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136820290
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC(C)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-7(2)11-13-9(5-10(15)14-11)12-6-8(3)16-4/h5,7-8H,6H2,1-4H3,(H2,12,13,14,15)
InChIKeyYANIYIBNORUGHG-UHFFFAOYSA-N
XLogP1.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-difluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976580
4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016485
methyl 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetate
CID 136973721
4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989480
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975670
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide
CID 136973538
4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974229
4-[2-(2-methylpropoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016699
4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974289
4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136977753
4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976147
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136756214

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136820290) is 4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one is COC(C)CNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is YANIYIBNORUGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)11-13-9(5-10(15)14-11)12-6-8(3)16-4/h5,7-8H,6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136820290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).