4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one

C8H13N3O3 — CID 10104210

IUPAC4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one
SMILESNc1ccn(CC(CO)CO)c(=O)n1
InChIInChI=1S/C8H13N3O3/c9-7-1-2-11(8(14)10-7)3-6(4-12)5-13/h1-2,6,12-13H,3-5H2,(H2,9,10,14)
InChIKeyVZFPNCFWXBONGI-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.57
Rot. Bonds4

About 4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one

4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one (PubChem CID 10104210) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one
PubChem CID10104210
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one
SMILESNc1ccn(CC(CO)CO)c(=O)n1
InChIInChI=1S/C8H13N3O3/c9-7-1-2-11(8(14)10-7)3-6(4-12)5-13/h1-2,6,12-13H,3-5H2,(H2,9,10,14)
InChIKeyVZFPNCFWXBONGI-UHFFFAOYSA-N
XLogP-1.57
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one (CID 10104210) is 4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one is Nc1ccn(CC(CO)CO)c(=O)n1.
What is the InChIKey of 4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one?
The InChIKey is VZFPNCFWXBONGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c9-7-1-2-11(8(14)10-7)3-6(4-12)5-13/h1-2,6,12-13H,3-5H2,(H2,9,10,14).
What are the key properties of 4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one?
4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one has a molecular weight of 199.21 g/mol, XLogP of -1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-hydroxy-2-(hydroxymethyl)propyl]pyrimidin-2-one is sourced from PubChem (CID 10104210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).