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

C10H17N3O3 — CID 136730526

IUPAC4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCOCCO)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O3/c1-8-12-9(7-10(15)13-8)11-3-2-5-16-6-4-14/h7,14H,2-6H2,1H3,(H2,11,12,13,15)
InChIKeyLOTAPIYHYSEEHA-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.11
Rot. Bonds7

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

4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136730526) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136730526
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCOCCO)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O3/c1-8-12-9(7-10(15)13-8)11-3-2-5-16-6-4-14/h7,14H,2-6H2,1H3,(H2,11,12,13,15)
InChIKeyLOTAPIYHYSEEHA-UHFFFAOYSA-N
XLogP-0.11
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one (CID 136730526) is 4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCCOCCO)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is LOTAPIYHYSEEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-8-12-9(7-10(15)13-8)11-3-2-5-16-6-4-14/h7,14H,2-6H2,1H3,(H2,11,12,13,15).
What are the key properties of 4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of -0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).