4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one

C7H11N3O2 — CID 167492181

IUPAC4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one
SMILESCCn1cc(CO)c(N)nc1=O
InChIInChI=1S/C7H11N3O2/c1-2-10-3-5(4-11)6(8)9-7(10)12/h3,11H,2,4H2,1H3,(H2,8,9,12)
InChIKeyLCTAEPFXJOGIRY-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.66
Rot. Bonds2

About 4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one

4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one (PubChem CID 167492181) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one
PubChem CID167492181
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one
SMILESCCn1cc(CO)c(N)nc1=O
InChIInChI=1S/C7H11N3O2/c1-2-10-3-5(4-11)6(8)9-7(10)12/h3,11H,2,4H2,1H3,(H2,8,9,12)
InChIKeyLCTAEPFXJOGIRY-UHFFFAOYSA-N
XLogP-0.66
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one (CID 167492181) is 4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one is CCn1cc(CO)c(N)nc1=O.
What is the InChIKey of 4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one?
The InChIKey is LCTAEPFXJOGIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-10-3-5(4-11)6(8)9-7(10)12/h3,11H,2,4H2,1H3,(H2,8,9,12).
What are the key properties of 4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one?
4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one has a molecular weight of 169.18 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one is sourced from PubChem (CID 167492181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).