3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one

C8H13N3O2 — CID 61224563

IUPAC3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)CN)cn1
InChIInChI=1S/C8H13N3O2/c1-6-2-8(13)11(5-10-6)4-7(12)3-9/h2,5,7,12H,3-4,9H2,1H3
InChIKeyLOYPRMAXGOGBGT-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.13
Rot. Bonds3

About 3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one

3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one (PubChem CID 61224563) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one
PubChem CID61224563
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)CN)cn1
InChIInChI=1S/C8H13N3O2/c1-6-2-8(13)11(5-10-6)4-7(12)3-9/h2,5,7,12H,3-4,9H2,1H3
InChIKeyLOYPRMAXGOGBGT-UHFFFAOYSA-N
XLogP-1.13
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one?
The IUPAC name of 3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one (CID 61224563) is 3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one is Cc1cc(=O)n(CC(O)CN)cn1.
What is the InChIKey of 3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one?
The InChIKey is LOYPRMAXGOGBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-2-8(13)11(5-10-6)4-7(12)3-9/h2,5,7,12H,3-4,9H2,1H3.
What are the key properties of 3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one?
3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one has a molecular weight of 183.21 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-hydroxypropyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 61224563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).