4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one

C10H17N3O3 — CID 136764971

IUPAC4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O3/c1-15-5-6-16-4-2-3-11-9-7-10(14)13-8-12-9/h7-8H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyKMJSOCABHYZGFZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.23
Rot. Bonds8

About 4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one

4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136764971) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136764971
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O3/c1-15-5-6-16-4-2-3-11-9-7-10(14)13-8-12-9/h7-8H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyKMJSOCABHYZGFZ-UHFFFAOYSA-N
XLogP0.23
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240436
4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240589
4-(2-propoxyethoxy)-1H-pyrimidin-6-one
CID 103241664
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
CID 113792814
4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730527
4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730539
4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764961
2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764972
4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136764973
5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764975
4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136764976
5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764978

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one (CID 136764971) is 4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one is COCCOCCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is KMJSOCABHYZGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-15-5-6-16-4-2-3-11-9-7-10(14)13-8-12-9/h7-8H,2-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136764971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).