6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione

C12H20N4O2 — CID 115628510

IUPAC6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione
SMILESC/C=C/CCNc1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-3-5-6-7-14-9-10(13)16(8-4-2)12(18)15-11(9)17/h3,5,14H,4,6-8,13H2,1-2H3,(H,15,17,18)/b5-3+
InChIKeyRWDVXMSWIRFOFG-HWKANZROSA-N
MW252.32 g/mol
LogP0.91
Rot. Bonds6

About 6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione

6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione (PubChem CID 115628510) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione
PubChem CID115628510
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione
SMILESC/C=C/CCNc1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-3-5-6-7-14-9-10(13)16(8-4-2)12(18)15-11(9)17/h3,5,14H,4,6-8,13H2,1-2H3,(H,15,17,18)/b5-3+
InChIKeyRWDVXMSWIRFOFG-HWKANZROSA-N
XLogP0.91
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide
CID 54933726
6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
CID 60661605
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
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-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115604164
6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione
CID 2398060
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195
6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione
CID 54885221
6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 113248923
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354
5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide
CID 106238995

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione (CID 115628510) is 6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione is C/C=C/CCNc1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione?
The InChIKey is RWDVXMSWIRFOFG-HWKANZROSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-5-6-7-14-9-10(13)16(8-4-2)12(18)15-11(9)17/h3,5,14H,4,6-8,13H2,1-2H3,(H,15,17,18)/b5-3+.
What are the key properties of 6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione has a molecular weight of 252.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 115628510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).