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

C11H20N4O3 — CID 60649217

IUPAC6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NC(C)COC)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-4-5-15-9(12)8(10(16)14-11(15)17)13-7(2)6-18-3/h7,13H,4-6,12H2,1-3H3,(H,14,16,17)
InChIKeyROATYEQJJAJOFI-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.02
Rot. Bonds6

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

6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione (PubChem CID 60649217) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
PubChem CID60649217
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NC(C)COC)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-4-5-15-9(12)8(10(16)14-11(15)17)13-7(2)6-18-3/h7,13H,4-6,12H2,1-3H3,(H,14,16,17)
InChIKeyROATYEQJJAJOFI-UHFFFAOYSA-N
XLogP-0.02
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione
CID 65048686
6-amino-5-(hexan-3-ylamino)-1-propylpyrimidine-2,4-dione
CID 62046800
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione
CID 83026863
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195
6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 61360592
6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione
CID 60649196
6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione
CID 104762438
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-5-[(2-methyl-3-methylsulfanylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 63967441
6-amino-1-butyl-5-(but-3-yn-2-ylamino)pyrimidine-2,4-dione
CID 114382909

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione (CID 60649217) is 6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NC(C)COC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione?
The InChIKey is ROATYEQJJAJOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-4-5-15-9(12)8(10(16)14-11(15)17)13-7(2)6-18-3/h7,13H,4-6,12H2,1-3H3,(H,14,16,17).
What are the key properties of 6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione?
6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione has a molecular weight of 256.31 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 60649217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).