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

C8H13N3O2 — CID 136956035

IUPAC4-(3-methoxypropylamino)-1H-pyrimidin-6-one
SMILESCOCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O2/c1-13-4-2-3-9-7-5-8(12)11-6-10-7/h5-6H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyFZNLAGKLCHUPHP-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.22
Rot. Bonds5

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

4-(3-methoxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136956035) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(3-methoxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxypropylamino)-1H-pyrimidin-6-one
PubChem CID136956035
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(3-methoxypropylamino)-1H-pyrimidin-6-one
SMILESCOCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O2/c1-13-4-2-3-9-7-5-8(12)11-6-10-7/h5-6H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyFZNLAGKLCHUPHP-UHFFFAOYSA-N
XLogP0.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.22
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-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
N-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)acetamide
CID 839271
6-ethoxypyrimidin-4(1H)-one
CID 45080261
4-propoxy-1H-pyrimidin-6-one
CID 89293896
ethane;methoxyethane;1H-pyrimidin-6-one
CID 90742296
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322
4-[ethyl(methyl)amino]-1H-pyrimidin-6-one
CID 136504671
4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 136650100
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957461

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxypropylamino)-1H-pyrimidin-6-one (CID 136956035) is 4-(3-methoxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxypropylamino)-1H-pyrimidin-6-one is COCCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(3-methoxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is FZNLAGKLCHUPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-13-4-2-3-9-7-5-8(12)11-6-10-7/h5-6H,2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-(3-methoxypropylamino)-1H-pyrimidin-6-one?
4-(3-methoxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).