4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one

C8H13N3O2 — CID 135973717

IUPAC4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-2-3-13-5-7-10-6(9)4-8(12)11-7/h4H,2-3,5H2,1H3,(H3,9,10,11,12)
InChIKeyPPVOGEKOJNHUJP-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.28
Rot. Bonds4

About 4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one

4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one (PubChem CID 135973717) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one
PubChem CID135973717
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-2-3-13-5-7-10-6(9)4-8(12)11-7/h4H,2-3,5H2,1H3,(H3,9,10,11,12)
InChIKeyPPVOGEKOJNHUJP-UHFFFAOYSA-N
XLogP0.28
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473467
2-(ethoxymethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228748
5-fluoro-4-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 136228867
4-amino-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890393
4-amino-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890394
4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890402
4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890403
6-amino-2-(2-methoxyethyl)pyrimidin-4(3H)-one
CID 135629496
2-(Methoxymethyl)pyrimidin-4(1H)-one
CID 14306129
2-(Methoxymethyl)pyrimidine-4,6-diol
CID 53438120
6-Amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 59073654

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one (CID 135973717) is 4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one is CCCOCc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is PPVOGEKOJNHUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-3-13-5-7-10-6(9)4-8(12)11-7/h4H,2-3,5H2,1H3,(H3,9,10,11,12).
What are the key properties of 4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one?
4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135973717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).