4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one

C8H13N3O2 — CID 19021661

IUPAC4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one
SMILESCC(C)OCn1ccc(N)nc1=O
InChIInChI=1S/C8H13N3O2/c1-6(2)13-5-11-4-3-7(9)10-8(11)12/h3-4,6H,5H2,1-2H3,(H2,9,10,12)
InChIKeyGNLZJNOSFXUPJF-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.21
Rot. Bonds3

About 4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one

4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one (PubChem CID 19021661) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one
PubChem CID19021661
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one
SMILESCC(C)OCn1ccc(N)nc1=O
InChIInChI=1S/C8H13N3O2/c1-6(2)13-5-11-4-3-7(9)10-8(11)12/h3-4,6H,5H2,1-2H3,(H2,9,10,12)
InChIKeyGNLZJNOSFXUPJF-UHFFFAOYSA-N
XLogP0.21
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one (CID 19021661) is 4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one is CC(C)OCn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one?
The InChIKey is GNLZJNOSFXUPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(2)13-5-11-4-3-7(9)10-8(11)12/h3-4,6H,5H2,1-2H3,(H2,9,10,12).
What are the key properties of 4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one?
4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one has a molecular weight of 183.21 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(propan-2-yloxymethyl)pyrimidin-2-one is sourced from PubChem (CID 19021661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).