6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione

C12H22N4O3 — CID 60964818

IUPAC6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCCCOC)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O3/c1-3-7-16-10(13)9(11(17)15-12(16)18)14-6-4-5-8-19-2/h14H,3-8,13H2,1-2H3,(H,15,17,18)
InChIKeyGDBQDKKCSYGRNK-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.37
Rot. Bonds8

About 6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione

6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione (PubChem CID 60964818) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
PubChem CID60964818
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCCCOC)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O3/c1-3-7-16-10(13)9(11(17)15-12(16)18)14-6-4-5-8-19-2/h14H,3-8,13H2,1-2H3,(H,15,17,18)
InChIKeyGDBQDKKCSYGRNK-UHFFFAOYSA-N
XLogP0.37
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.37
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-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60649236
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione
CID 103603390
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-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione
CID 104762438
6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione
CID 61169718
6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60649217
5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide
CID 106238995
6-amino-5-[[(E)-pent-3-enyl]amino]-1-propylpyrimidine-2,4-dione
CID 115628510
6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione
CID 115571526

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione (CID 60964818) is 6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCCCCOC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione?
The InChIKey is GDBQDKKCSYGRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-3-7-16-10(13)9(11(17)15-12(16)18)14-6-4-5-8-19-2/h14H,3-8,13H2,1-2H3,(H,15,17,18).
What are the key properties of 6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione?
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of 0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 60964818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).