3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione

C15H25N3O2 — CID 63812191

IUPAC3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCCNC2CCCC2)c1=O
InChIInChI=1S/C15H25N3O2/c1-2-10-17-12-8-14(19)18(15(17)20)11-5-9-16-13-6-3-4-7-13/h8,12-13,16H,2-7,9-11H2,1H3
InChIKeyLHUCTRHDQRWQLR-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.34
Rot. Bonds7

About 3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione

3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione (PubChem CID 63812191) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione
PubChem CID63812191
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCCNC2CCCC2)c1=O
InChIInChI=1S/C15H25N3O2/c1-2-10-17-12-8-14(19)18(15(17)20)11-5-9-16-13-6-3-4-7-13/h8,12-13,16H,2-7,9-11H2,1H3
InChIKeyLHUCTRHDQRWQLR-UHFFFAOYSA-N
XLogP1.34
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione
CID 63810576
1-[3-(cyclohexylamino)propyl]-3-ethylimidazol-2-one
CID 80582495
3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione
CID 63812517
3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione
CID 63812363
3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione
CID 65177778
3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione
CID 63811217
3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione
CID 63810122
1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione
CID 63810571
5-(2,6-dioxo-3-propylpyrimidin-1-yl)pentanenitrile
CID 63800672
4-(2,6-dioxo-3-propylpyrimidin-1-yl)butanethioamide
CID 63800853
1-[3-(cyclohexylamino)propyl]-4-methylpyrimidin-2-one
CID 114217449
2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63810941

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione (CID 63812191) is 3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(CCCNC2CCCC2)c1=O.
What is the InChIKey of 3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is LHUCTRHDQRWQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-10-17-12-8-14(19)18(15(17)20)11-5-9-16-13-6-3-4-7-13/h8,12-13,16H,2-7,9-11H2,1H3.
What are the key properties of 3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione?
3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 279.38 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63812191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).