6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione

C14H22N4O2 — CID 103844290

IUPAC6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCC2=CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-2-9-18-12(15)11(13(19)17-14(18)20)16-8-7-10-5-3-4-6-10/h5,16H,2-4,6-9,15H2,1H3,(H,17,19,20)
InChIKeyDXAMNNWSZQUGDG-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.44
Rot. Bonds6

About 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione

6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione (PubChem CID 103844290) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione
PubChem CID103844290
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCC2=CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-2-9-18-12(15)11(13(19)17-14(18)20)16-8-7-10-5-3-4-6-10/h5,16H,2-4,6-9,15H2,1H3,(H,17,19,20)
InChIKeyDXAMNNWSZQUGDG-UHFFFAOYSA-N
XLogP1.44
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione
CID 103844281
2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide
CID 54933726
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione
CID 104626403
6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione
CID 115628510
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 113248923
6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115604164
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195
6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione
CID 103603390
6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione
CID 54885221

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione (CID 103844290) is 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCCC2=CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
The InChIKey is DXAMNNWSZQUGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-9-18-12(15)11(13(19)17-14(18)20)16-8-7-10-5-3-4-6-10/h5,16H,2-4,6-9,15H2,1H3,(H,17,19,20).
What are the key properties of 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione has a molecular weight of 278.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 103844290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).