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

C9H15N3O2 — CID 136956016

IUPAC4-(3-ethoxypropylamino)-1H-pyrimidin-6-one
SMILESCCOCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-2-14-5-3-4-10-8-6-9(13)12-7-11-8/h6-7H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyFVSAICGDTLSDAR-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.61
Rot. Bonds6

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

4-(3-ethoxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136956016) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(3-ethoxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-ethoxypropylamino)-1H-pyrimidin-6-one
PubChem CID136956016
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(3-ethoxypropylamino)-1H-pyrimidin-6-one
SMILESCCOCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-2-14-5-3-4-10-8-6-9(13)12-7-11-8/h6-7H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyFVSAICGDTLSDAR-UHFFFAOYSA-N
XLogP0.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.61
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
ethane;methoxyethane;1H-pyrimidin-6-one
CID 90742296
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322
4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 136650100
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957461
4-(1,4-oxazepan-4-yl)-1H-pyrimidin-6-one
CID 136957839
4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
CID 103241445
4-(3-aminopropoxy)-1H-pyrimidin-6-one
CID 114586364
5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136689231

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-ethoxypropylamino)-1H-pyrimidin-6-one (CID 136956016) is 4-(3-ethoxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-ethoxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-ethoxypropylamino)-1H-pyrimidin-6-one is CCOCCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(3-ethoxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is FVSAICGDTLSDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-14-5-3-4-10-8-6-9(13)12-7-11-8/h6-7H,2-5H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-(3-ethoxypropylamino)-1H-pyrimidin-6-one?
4-(3-ethoxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).