2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one

C14H25N3O2 — CID 136931872

IUPAC2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCCOCC(C)C)c(=O)[nH]1
InChIInChI=1S/C14H25N3O2/c1-9(2)8-19-7-6-15-10(3)13-11(4)16-12(5)17-14(13)18/h9-10,15H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyKTCIFSJGIHXPRM-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.71
Rot. Bonds7

About 2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one (PubChem CID 136931872) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one
PubChem CID136931872
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCCOCC(C)C)c(=O)[nH]1
InChIInChI=1S/C14H25N3O2/c1-9(2)8-19-7-6-15-10(3)13-11(4)16-12(5)17-14(13)18/h9-10,15H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyKTCIFSJGIHXPRM-UHFFFAOYSA-N
XLogP1.71
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one (CID 136931872) is 2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one is Cc1nc(C)c(C(C)NCCOCC(C)C)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one?
The InChIKey is KTCIFSJGIHXPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)8-19-7-6-15-10(3)13-11(4)16-12(5)17-14(13)18/h9-10,15H,6-8H2,1-5H3,(H,16,17,18).
What are the key properties of 2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one has a molecular weight of 267.37 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[1-[2-(2-methylpropoxy)ethylamino]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136931872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).