6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione

C13H24N4O3 — CID 60649236

IUPAC6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCCCCCCNc1c(N)n(CCOC)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O3/c1-3-4-5-6-7-15-10-11(14)17(8-9-20-2)13(19)16-12(10)18/h15H,3-9,14H2,1-2H3,(H,16,18,19)
InChIKeyUKWJPPPWMCNDCE-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.76
Rot. Bonds9

About 6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 60649236) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID60649236
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCCCCCCNc1c(N)n(CCOC)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O3/c1-3-4-5-6-7-15-10-11(14)17(8-9-20-2)13(19)16-12(10)18/h15H,3-9,14H2,1-2H3,(H,16,18,19)
InChIKeyUKWJPPPWMCNDCE-UHFFFAOYSA-N
XLogP0.76
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.76
H-Bond Donors ≤ 53
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-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione
CID 104762438
6-amino-1-butyl-5-(5-methylsulfanylpentylamino)pyrimidine-2,4-dione
CID 104925628
6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione
CID 61169718
5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide
CID 106238995
6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione
CID 115571526
methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate
CID 60661545
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354
6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione
CID 103603390
6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione
CID 107302596

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 60649236) is 6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione is CCCCCCNc1c(N)n(CCOC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is UKWJPPPWMCNDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-3-4-5-6-7-15-10-11(14)17(8-9-20-2)13(19)16-12(10)18/h15H,3-9,14H2,1-2H3,(H,16,18,19).
What are the key properties of 6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 284.36 g/mol, XLogP of 0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 60649236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).