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

C15H25N3O2 — CID 136754597

IUPAC2,4-dimethyl-5-[1-[2-(oxan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCCC2CCCCO2)c(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-10(14-11(2)17-12(3)18-15(14)19)16-8-7-13-6-4-5-9-20-13/h10,13,16H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyOHPZPTSEGCABIK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.00
Rot. Bonds5

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

2,4-dimethyl-5-[1-[2-(oxan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one (PubChem CID 136754597) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2,4-dimethyl-5-[1-[2-(oxan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[1-[2-(oxan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one
PubChem CID136754597
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2,4-dimethyl-5-[1-[2-(oxan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCCC2CCCCO2)c(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-10(14-11(2)17-12(3)18-15(14)19)16-8-7-13-6-4-5-9-20-13/h10,13,16H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyOHPZPTSEGCABIK-UHFFFAOYSA-N
XLogP2.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-5-[1-(oxan-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one
CID 136082020
5-[1-(1,4-dioxan-2-ylmethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136082024
5-[1-[(3-hydroxycyclohexyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091204
5-[1-(3-ethoxypropylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091243
2,4-dimethyl-5-[1-(3-propan-2-yloxypropylamino)ethyl]-1H-pyrimidin-6-one
CID 136101639
2,4-dimethyl-5-[1-[1-(oxolan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one
CID 136101640
2,4-dimethyl-5-[1-(oxan-4-ylamino)ethyl]-1H-pyrimidin-6-one
CID 136101651
5-[1-[(4-hydroxycyclohexyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136101659
2,4-dimethyl-5-[1-(oxan-3-ylamino)ethyl]-1H-pyrimidin-6-one
CID 136127682
5-[1-(2-cyclopentyloxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136148413
5-[1-(2-cyclohexyloxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136148426
2,4-dimethyl-5-[1-(oxan-4-ylmethylamino)ethyl]-1H-pyrimidin-6-one
CID 136151979

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[1-[2-(oxan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[1-[2-(oxan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one (CID 136754597) is 2,4-dimethyl-5-[1-[2-(oxan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[1-[2-(oxan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[1-[2-(oxan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one is Cc1nc(C)c(C(C)NCCC2CCCCO2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[1-[2-(oxan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one?
The InChIKey is OHPZPTSEGCABIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(14-11(2)17-12(3)18-15(14)19)16-8-7-13-6-4-5-9-20-13/h10,13,16H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 2,4-dimethyl-5-[1-[2-(oxan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[1-[2-(oxan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 2.00, 5 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-(oxan-2-yl)ethylamino]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136754597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).