6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione

C14H26N4O3 — CID 61169718

IUPAC6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione
SMILESCCCCOCCNc1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O3/c1-3-5-8-18-12(15)11(13(19)17-14(18)20)16-7-10-21-9-6-4-2/h16H,3-10,15H2,1-2H3,(H,17,19,20)
InChIKeyCTMIKFMGYDVLEQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.15
Rot. Bonds10

About 6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione

6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione (PubChem CID 61169718) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione
PubChem CID61169718
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione
SMILESCCCCOCCNc1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O3/c1-3-5-8-18-12(15)11(13(19)17-14(18)20)16-7-10-21-9-6-4-2/h16H,3-10,15H2,1-2H3,(H,17,19,20)
InChIKeyCTMIKFMGYDVLEQ-UHFFFAOYSA-N
XLogP1.15
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.15
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-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione
CID 115571526
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354
methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate
CID 60661545
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-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione
CID 103603390
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-1-butyl-5-[(2-hydroxy-2-methylbutyl)amino]pyrimidine-2,4-dione
CID 62947582
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethylacetamide
CID 60661495

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione (CID 61169718) is 6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione is CCCCOCCNc1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione?
The InChIKey is CTMIKFMGYDVLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-3-5-8-18-12(15)11(13(19)17-14(18)20)16-7-10-21-9-6-4-2/h16H,3-10,15H2,1-2H3,(H,17,19,20).
What are the key properties of 6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione?
6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione has a molecular weight of 298.39 g/mol, XLogP of 1.15, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione is sourced from PubChem (CID 61169718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).