6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione

C11H20N4O3 — CID 107302596

IUPAC6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCCCCCO)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-2-15-9(12)8(10(17)14-11(15)18)13-6-4-3-5-7-16/h13,16H,2-7,12H2,1H3,(H,14,17,18)
InChIKeyMUWPYSKMKNPMTL-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.29
Rot. Bonds7

About 6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione

6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione (PubChem CID 107302596) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione
PubChem CID107302596
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCCCCCO)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-2-15-9(12)8(10(17)14-11(15)18)13-6-4-3-5-7-16/h13,16H,2-7,12H2,1H3,(H,14,17,18)
InChIKeyMUWPYSKMKNPMTL-UHFFFAOYSA-N
XLogP-0.29
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-5-(6-hydroxyhexylamino)-1-methylpyrimidine-2,4-dione
CID 103918166
6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione
CID 115486574
6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione
CID 115571526
3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide
CID 106170945
6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60649236
5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide
CID 106238995
6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione
CID 104925628
6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione
CID 115613202
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 113248927
6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione
CID 63312031

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione (CID 107302596) is 6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione is CCn1c(N)c(NCCCCCO)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione?
The InChIKey is MUWPYSKMKNPMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-2-15-9(12)8(10(17)14-11(15)18)13-6-4-3-5-7-16/h13,16H,2-7,12H2,1H3,(H,14,17,18).
What are the key properties of 6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione has a molecular weight of 256.31 g/mol, XLogP of -0.29, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 107302596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).