3-[2-(methylamino)propyl]pyrimidin-4-one

C8H13N3O — CID 63767943

IUPAC3-[2-(methylamino)propyl]pyrimidin-4-one
SMILESCNC(C)Cn1cnccc1=O
InChIInChI=1S/C8H13N3O/c1-7(9-2)5-11-6-10-4-3-8(11)12/h3-4,6-7,9H,5H2,1-2H3
InChIKeyXXQCBSJFKFOXTC-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.15
Rot. Bonds3

About 3-[2-(methylamino)propyl]pyrimidin-4-one

3-[2-(methylamino)propyl]pyrimidin-4-one (PubChem CID 63767943) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-[2-(methylamino)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(methylamino)propyl]pyrimidin-4-one
PubChem CID63767943
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-[2-(methylamino)propyl]pyrimidin-4-one
SMILESCNC(C)Cn1cnccc1=O
InChIInChI=1S/C8H13N3O/c1-7(9-2)5-11-6-10-4-3-8(11)12/h3-4,6-7,9H,5H2,1-2H3
InChIKeyXXQCBSJFKFOXTC-UHFFFAOYSA-N
XLogP-0.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)propyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(methylamino)propyl]pyrimidin-4-one (CID 63767943) is 3-[2-(methylamino)propyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(methylamino)propyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(methylamino)propyl]pyrimidin-4-one is CNC(C)Cn1cnccc1=O.
What is the InChIKey of 3-[2-(methylamino)propyl]pyrimidin-4-one?
The InChIKey is XXQCBSJFKFOXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(9-2)5-11-6-10-4-3-8(11)12/h3-4,6-7,9H,5H2,1-2H3.
What are the key properties of 3-[2-(methylamino)propyl]pyrimidin-4-one?
3-[2-(methylamino)propyl]pyrimidin-4-one has a molecular weight of 167.21 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)propyl]pyrimidin-4-one is sourced from PubChem (CID 63767943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).