6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione

C14H26N4O3 — CID 65048686

IUPAC6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NC(COC)C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O3/c1-5-6-7-18-12(15)11(13(19)17-14(18)20)16-10(8-21-4)9(2)3/h9-10,16H,5-8,15H2,1-4H3,(H,17,19,20)
InChIKeyPTXGZHCSYJDTJS-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.00
Rot. Bonds8

About 6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione (PubChem CID 65048686) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione
PubChem CID65048686
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NC(COC)C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O3/c1-5-6-7-18-12(15)11(13(19)17-14(18)20)16-10(8-21-4)9(2)3/h9-10,16H,5-8,15H2,1-4H3,(H,17,19,20)
InChIKeyPTXGZHCSYJDTJS-UHFFFAOYSA-N
XLogP1.00
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60649217
6-amino-1-butyl-5-(but-3-yn-2-ylamino)pyrimidine-2,4-dione
CID 114382909
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide
CID 60702032
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 65047999
6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione
CID 61169718
6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60649236
6-amino-1-butyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]pyrimidine-2,4-dione
CID 63966820
methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate
CID 60661545
6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione
CID 60649196
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione (CID 65048686) is 6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione is CCCCn1c(N)c(NC(COC)C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione?
The InChIKey is PTXGZHCSYJDTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-5-6-7-18-12(15)11(13(19)17-14(18)20)16-10(8-21-4)9(2)3/h9-10,16H,5-8,15H2,1-4H3,(H,17,19,20).
What are the key properties of 6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione has a molecular weight of 298.39 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 65048686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).