6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione

C12H22N4O4 — CID 104762438

IUPAC6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NCCOC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O4/c1-8(2)20-6-4-14-9-10(13)16(5-7-19-3)12(18)15-11(9)17/h8,14H,4-7,13H2,1-3H3,(H,15,17,18)
InChIKeyNSDCLEMLJRNJPH-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.40
Rot. Bonds8

About 6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione

6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione (PubChem CID 104762438) has the molecular formula C12H22N4O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione
PubChem CID104762438
Molecular FormulaC12H22N4O4
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Name6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NCCOC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O4/c1-8(2)20-6-4-14-9-10(13)16(5-7-19-3)12(18)15-11(9)17/h8,14H,4-7,13H2,1-3H3,(H,15,17,18)
InChIKeyNSDCLEMLJRNJPH-UHFFFAOYSA-N
XLogP-0.40
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60649236
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione
CID 61169718
6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione
CID 62525076
6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60649217
6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106245801
6-amino-5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 2389933
6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 62517996
6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione
CID 106214870
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354
6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115604164

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione (CID 104762438) is 6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione is COCCn1c(N)c(NCCOC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione?
The InChIKey is NSDCLEMLJRNJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4/c1-8(2)20-6-4-14-9-10(13)16(5-7-19-3)12(18)15-11(9)17/h8,14H,4-7,13H2,1-3H3,(H,15,17,18).
What are the key properties of 6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione?
6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione has a molecular weight of 286.33 g/mol, XLogP of -0.40, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 104762438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).