2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one

C11H19N3O2 — CID 136957285

IUPAC2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCOCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-8(2)7-16-5-4-12-10-6-11(15)14-9(3)13-10/h6,8H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyYMXDXTPTRKETFM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.16
Rot. Bonds6

About 2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one

2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136957285) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one
PubChem CID136957285
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCOCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-8(2)7-16-5-4-12-10-6-11(15)14-9(3)13-10/h6,8H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyYMXDXTPTRKETFM-UHFFFAOYSA-N
XLogP1.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-cyclopropyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975763
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
2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136999738
4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 167804464
6-Amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 59073654
4-Hydroxy-2-methyl-6-morpholinopyrimidine
CID 135592113
4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one (CID 136957285) is 2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one is Cc1nc(NCCOCC(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is YMXDXTPTRKETFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)7-16-5-4-12-10-6-11(15)14-9(3)13-10/h6,8H,4-5,7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one?
2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).