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

C8H13N3O2 — CID 63768142

IUPAC3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one
SMILESCNCC(O)Cn1cnccc1=O
InChIInChI=1S/C8H13N3O2/c1-9-4-7(12)5-11-6-10-3-2-8(11)13/h2-3,6-7,9,12H,4-5H2,1H3
InChIKeyXOBCXPAKMRPJPV-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.18
Rot. Bonds4

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

3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one (PubChem CID 63768142) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one
PubChem CID63768142
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one
SMILESCNCC(O)Cn1cnccc1=O
InChIInChI=1S/C8H13N3O2/c1-9-4-7(12)5-11-6-10-3-2-8(11)13/h2-3,6-7,9,12H,4-5H2,1H3
InChIKeyXOBCXPAKMRPJPV-UHFFFAOYSA-N
XLogP-1.18
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one?
The IUPAC name of 3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one (CID 63768142) is 3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one is CNCC(O)Cn1cnccc1=O.
What is the InChIKey of 3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one?
The InChIKey is XOBCXPAKMRPJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9-4-7(12)5-11-6-10-3-2-8(11)13/h2-3,6-7,9,12H,4-5H2,1H3.
What are the key properties of 3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one?
3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one has a molecular weight of 183.21 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(methylamino)propyl]pyrimidin-4-one is sourced from PubChem (CID 63768142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).