1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-one

C8H13N3O2 — CID 63206333

IUPAC1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC(O)CN)c1
InChIInChI=1S/C8H13N3O2/c1-6-3-10-8(13)11(4-6)5-7(12)2-9/h3-4,7,12H,2,5,9H2,1H3
InChIKeyPRRYKVWJMXPHSM-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.13
Rot. Bonds3

About 1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-one

1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-one (PubChem CID 63206333) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-one
PubChem CID63206333
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC(O)CN)c1
InChIInChI=1S/C8H13N3O2/c1-6-3-10-8(13)11(4-6)5-7(12)2-9/h3-4,7,12H,2,5,9H2,1H3
InChIKeyPRRYKVWJMXPHSM-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 1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-one?
The IUPAC name of 1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-one (CID 63206333) is 1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-one?
The canonical SMILES for 1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-one is Cc1cnc(=O)n(CC(O)CN)c1.
What is the InChIKey of 1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-one?
The InChIKey is PRRYKVWJMXPHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-3-10-8(13)11(4-6)5-7(12)2-9/h3-4,7,12H,2,5,9H2,1H3.
What are the key properties of 1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-one?
1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-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 1-(3-amino-2-hydroxypropyl)-5-methylpyrimidin-2-one is sourced from PubChem (CID 63206333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).