1-[2-(dipropylamino)pyrimidin-5-yl]ethanone

C12H19N3O — CID 21019652

IUPAC1-[2-(dipropylamino)pyrimidin-5-yl]ethanone
SMILESCCCN(CCC)c1ncc(C(C)=O)cn1
InChIInChI=1S/C12H19N3O/c1-4-6-15(7-5-2)12-13-8-11(9-14-12)10(3)16/h8-9H,4-7H2,1-3H3
InChIKeyLQANYFCTBQOEAI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.31
Rot. Bonds6

About 1-[2-(dipropylamino)pyrimidin-5-yl]ethanone

1-[2-(dipropylamino)pyrimidin-5-yl]ethanone (PubChem CID 21019652) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2-(dipropylamino)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dipropylamino)pyrimidin-5-yl]ethanone
PubChem CID21019652
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[2-(dipropylamino)pyrimidin-5-yl]ethanone
SMILESCCCN(CCC)c1ncc(C(C)=O)cn1
InChIInChI=1S/C12H19N3O/c1-4-6-15(7-5-2)12-13-8-11(9-14-12)10(3)16/h8-9H,4-7H2,1-3H3
InChIKeyLQANYFCTBQOEAI-UHFFFAOYSA-N
XLogP2.31
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dipropylamino)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-(dipropylamino)pyrimidin-5-yl]ethanone (CID 21019652) is 1-[2-(dipropylamino)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(dipropylamino)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-(dipropylamino)pyrimidin-5-yl]ethanone is CCCN(CCC)c1ncc(C(C)=O)cn1.
What is the InChIKey of 1-[2-(dipropylamino)pyrimidin-5-yl]ethanone?
The InChIKey is LQANYFCTBQOEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-6-15(7-5-2)12-13-8-11(9-14-12)10(3)16/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-[2-(dipropylamino)pyrimidin-5-yl]ethanone?
1-[2-(dipropylamino)pyrimidin-5-yl]ethanone has a molecular weight of 221.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dipropylamino)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 21019652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).