3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one

C14H21N3O — CID 62564456

IUPAC3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCNC(C2CC2)C2CC2)cn1
InChIInChI=1S/C14H21N3O/c1-10-8-13(18)17(9-16-10)7-6-15-14(11-2-3-11)12-4-5-12/h8-9,11-12,14-15H,2-7H2,1H3
InChIKeyVJASLUUONHMJHN-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.33
Rot. Bonds6

About 3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one

3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one (PubChem CID 62564456) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one
PubChem CID62564456
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCNC(C2CC2)C2CC2)cn1
InChIInChI=1S/C14H21N3O/c1-10-8-13(18)17(9-16-10)7-6-15-14(11-2-3-11)12-4-5-12/h8-9,11-12,14-15H,2-7H2,1H3
InChIKeyVJASLUUONHMJHN-UHFFFAOYSA-N
XLogP1.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one (CID 62564456) is 3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(CCNC(C2CC2)C2CC2)cn1.
What is the InChIKey of 3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one?
The InChIKey is VJASLUUONHMJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-13(18)17(9-16-10)7-6-15-14(11-2-3-11)12-4-5-12/h8-9,11-12,14-15H,2-7H2,1H3.
What are the key properties of 3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one?
3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one has a molecular weight of 247.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 62564456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).