5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione

C12H20ClN3O3 — CID 66424193

IUPAC5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione
SMILESCC(C)OCCCNCCn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C12H20ClN3O3/c1-9(2)19-7-3-4-14-5-6-16-8-10(13)11(17)15-12(16)18/h8-9,14H,3-7H2,1-2H3,(H,15,17,18)
InChIKeyJVZBVSUUNJJIKP-UHFFFAOYSA-N
MW289.76 g/mol
LogP0.59
Rot. Bonds8

About 5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione

5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione (PubChem CID 66424193) has the molecular formula C12H20ClN3O3 and a molecular weight of 289.76 g/mol. Its IUPAC name is 5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione
PubChem CID66424193
Molecular FormulaC12H20ClN3O3
Molecular Weight289.76 g/mol
Exact Mass289.12
IUPAC Name5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione
SMILESCC(C)OCCCNCCn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C12H20ClN3O3/c1-9(2)19-7-3-4-14-5-6-16-8-10(13)11(17)15-12(16)18/h8-9,14H,3-7H2,1-2H3,(H,15,17,18)
InChIKeyJVZBVSUUNJJIKP-UHFFFAOYSA-N
XLogP0.59
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 50.59
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione (CID 66424193) is 5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione is CC(C)OCCCNCCn1cc(Cl)c(=O)[nH]c1=O.
What is the InChIKey of 5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione?
The InChIKey is JVZBVSUUNJJIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O3/c1-9(2)19-7-3-4-14-5-6-16-8-10(13)11(17)15-12(16)18/h8-9,14H,3-7H2,1-2H3,(H,15,17,18).
What are the key properties of 5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione?
5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione has a molecular weight of 289.76 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66424193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).