6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

C13H24N4O4 — CID 106245801

IUPAC6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCOCC(O)CCNc1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O4/c1-8(2)6-17-11(14)10(12(19)16-13(17)20)15-5-4-9(18)7-21-3/h8-9,15,18H,4-7,14H2,1-3H3,(H,16,19,20)
InChIKeyIBASZYBUQHSSBW-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.42
Rot. Bonds8

About 6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 106245801) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID106245801
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCOCC(O)CCNc1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O4/c1-8(2)6-17-11(14)10(12(19)16-13(17)20)15-5-4-9(18)7-21-3/h8-9,15,18H,4-7,14H2,1-3H3,(H,16,19,20)
InChIKeyIBASZYBUQHSSBW-UHFFFAOYSA-N
XLogP-0.42
TPSA122.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106158491
6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 104828680
6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
CID 54933303
6-amino-5-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61043333
6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione
CID 104762438
6-amino-1-(2-methylpropyl)-5-(pentan-3-ylamino)pyrimidine-2,4-dione
CID 60649265
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione
CID 106382190
6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60649217
6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60649236
6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115604164

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 106245801) is 6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is COCC(O)CCNc1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is IBASZYBUQHSSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-8(2)6-17-11(14)10(12(19)16-13(17)20)15-5-4-9(18)7-21-3/h8-9,15,18H,4-7,14H2,1-3H3,(H,16,19,20).
What are the key properties of 6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 300.36 g/mol, XLogP of -0.42, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106245801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).