2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one

C15H25N3O2 — CID 104747709

IUPAC2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one
SMILESCCCNC(Cn1c(C)nc(C)cc1=O)C1CCOC1
InChIInChI=1S/C15H25N3O2/c1-4-6-16-14(13-5-7-20-10-13)9-18-12(3)17-11(2)8-15(18)19/h8,13-14,16H,4-7,9-10H2,1-3H3
InChIKeyLKHQVLDEHIPEAJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.26
Rot. Bonds6

About 2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one

2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one (PubChem CID 104747709) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one
PubChem CID104747709
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one
SMILESCCCNC(Cn1c(C)nc(C)cc1=O)C1CCOC1
InChIInChI=1S/C15H25N3O2/c1-4-6-16-14(13-5-7-20-10-13)9-18-12(3)17-11(2)8-15(18)19/h8,13-14,16H,4-7,9-10H2,1-3H3
InChIKeyLKHQVLDEHIPEAJ-UHFFFAOYSA-N
XLogP1.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one
CID 136674856
2,6-Dimethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidin-4-one
CID 55235685
6-Methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
CID 62564461
2,6-Dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
CID 63794382
2-Methoxy-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
CID 79374764
2-[[1-(Oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104696512
6-Methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
CID 104747403
3-[2-(Ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one
CID 104747406
6-Methyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one
CID 104747408
3-[2-Amino-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one
CID 104747410
2,6-Dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
CID 104747703
3-[2-(Ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 104747706

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one (CID 104747709) is 2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one is CCCNC(Cn1c(C)nc(C)cc1=O)C1CCOC1.
What is the InChIKey of 2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one?
The InChIKey is LKHQVLDEHIPEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-6-16-14(13-5-7-20-10-13)9-18-12(3)17-11(2)8-15(18)19/h8,13-14,16H,4-7,9-10H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one?
2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one has a molecular weight of 279.38 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 104747709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).