6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one

C13H21N3O2 — CID 62564459

IUPAC6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNC(C)C2CCCO2)cn1
InChIInChI=1S/C13H21N3O2/c1-10-8-13(17)16(9-15-10)6-5-14-11(2)12-4-3-7-18-12/h8-9,11-12,14H,3-7H2,1-2H3
InChIKeyURMAEPXSEPDFMS-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.71
Rot. Bonds5

About 6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one

6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one (PubChem CID 62564459) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
PubChem CID62564459
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNC(C)C2CCCO2)cn1
InChIInChI=1S/C13H21N3O2/c1-10-8-13(17)16(9-15-10)6-5-14-11(2)12-4-3-7-18-12/h8-9,11-12,14H,3-7H2,1-2H3
InChIKeyURMAEPXSEPDFMS-UHFFFAOYSA-N
XLogP0.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one (CID 62564459) is 6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one is Cc1cc(=O)n(CCNC(C)C2CCCO2)cn1.
What is the InChIKey of 6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
The InChIKey is URMAEPXSEPDFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-8-13(17)16(9-15-10)6-5-14-11(2)12-4-3-7-18-12/h8-9,11-12,14H,3-7H2,1-2H3.
What are the key properties of 6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one has a molecular weight of 251.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one is sourced from PubChem (CID 62564459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).