4-(3-aminopropoxy)-1H-pyrimidin-6-one

C7H11N3O2 — CID 114586364

IUPAC4-(3-aminopropoxy)-1H-pyrimidin-6-one
SMILESNCCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C7H11N3O2/c8-2-1-3-12-7-4-6(11)9-5-10-7/h4-5H,1-3,8H2,(H,9,10,11)
InChIKeyAVXCCBWZFPTDLS-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.50
Rot. Bonds4

About 4-(3-aminopropoxy)-1H-pyrimidin-6-one

4-(3-aminopropoxy)-1H-pyrimidin-6-one (PubChem CID 114586364) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(3-aminopropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminopropoxy)-1H-pyrimidin-6-one
PubChem CID114586364
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-(3-aminopropoxy)-1H-pyrimidin-6-one
SMILESNCCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C7H11N3O2/c8-2-1-3-12-7-4-6(11)9-5-10-7/h4-5H,1-3,8H2,(H,9,10,11)
InChIKeyAVXCCBWZFPTDLS-UHFFFAOYSA-N
XLogP-0.50
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.50
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

6-Methoxy-4-1H-pyrimidinone
CID 3770663
4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240406
4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240553
4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241792
4-(2,2,3-trifluorobutoxy)-1H-pyrimidin-6-one
CID 159056896
4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 103241907
4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241918
4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241930
6-ethoxypyrimidin-4(1H)-one
CID 45080261
4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 59665181
4-propoxy-1H-pyrimidin-6-one
CID 89293896
4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240613

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminopropoxy)-1H-pyrimidin-6-one (CID 114586364) is 4-(3-aminopropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminopropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminopropoxy)-1H-pyrimidin-6-one is NCCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(3-aminopropoxy)-1H-pyrimidin-6-one?
The InChIKey is AVXCCBWZFPTDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-2-1-3-12-7-4-6(11)9-5-10-7/h4-5H,1-3,8H2,(H,9,10,11).
What are the key properties of 4-(3-aminopropoxy)-1H-pyrimidin-6-one?
4-(3-aminopropoxy)-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).