3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione

C14H25N3O2 — CID 63812517

IUPAC3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCCCNC(C)C)c1=O
InChIInChI=1S/C14H25N3O2/c1-4-9-16-11-7-13(18)17(14(16)19)10-6-5-8-15-12(2)3/h7,11-12,15H,4-6,8-10H2,1-3H3
InChIKeyINQWSTSUQRGWPY-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.20
Rot. Bonds8

About 3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione

3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione (PubChem CID 63812517) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione
PubChem CID63812517
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCCCNC(C)C)c1=O
InChIInChI=1S/C14H25N3O2/c1-4-9-16-11-7-13(18)17(14(16)19)10-6-5-8-15-12(2)3/h7,11-12,15H,4-6,8-10H2,1-3H3
InChIKeyINQWSTSUQRGWPY-UHFFFAOYSA-N
XLogP1.20
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.20
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-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione
CID 63811217
5-(2,6-dioxo-3-propylpyrimidin-1-yl)pentanenitrile
CID 63800672
3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione
CID 63812191
3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione
CID 63812363
3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione
CID 63810122
3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione
CID 65177778
3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione
CID 63811890
3-butyl-1-ethylpyrimidine-2,4-dione
CID 63812534
1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione
CID 63811359
4-(2,6-dioxo-3-propylpyrimidin-1-yl)butanethioamide
CID 63800853
1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione
CID 63810571
1-ethyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidine-2,4-dione
CID 55239196

Frequently Asked Questions

What is the IUPAC name of 3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione (CID 63812517) is 3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(CCCCNC(C)C)c1=O.
What is the InChIKey of 3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is INQWSTSUQRGWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-9-16-11-7-13(18)17(14(16)19)10-6-5-8-15-12(2)3/h7,11-12,15H,4-6,8-10H2,1-3H3.
What are the key properties of 3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione?
3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 267.37 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63812517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).