6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione

C12H22N4O2 — CID 60649248

IUPAC6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione
SMILESCC(C)CCC(C)Nc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O2/c1-7(2)5-6-8(3)14-9-10(13)16(4)12(18)15-11(9)17/h7-8,14H,5-6,13H2,1-4H3,(H,15,17,18)
InChIKeyKXPUQEVTUJEBBZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.89
Rot. Bonds5

About 6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione

6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione (PubChem CID 60649248) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione
PubChem CID60649248
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione
SMILESCC(C)CCC(C)Nc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O2/c1-7(2)5-6-8(3)14-9-10(13)16(4)12(18)15-11(9)17/h7-8,14H,5-6,13H2,1-4H3,(H,15,17,18)
InChIKeyKXPUQEVTUJEBBZ-UHFFFAOYSA-N
XLogP0.89
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione
CID 113461539
6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione
CID 107816326
6-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-methylpyrimidine-2,4-dione
CID 61480086
6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
CID 4133025
6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione
CID 102699143
6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione
CID 60666954
2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide
CID 60667095
6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione
CID 60649196
6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 54935174
6-amino-1-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-2,4-dione
CID 63091923
6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60649217
6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione
CID 54933352

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione (CID 60649248) is 6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione is CC(C)CCC(C)Nc1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione?
The InChIKey is KXPUQEVTUJEBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-7(2)5-6-8(3)14-9-10(13)16(4)12(18)15-11(9)17/h7-8,14H,5-6,13H2,1-4H3,(H,15,17,18).
What are the key properties of 6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione?
6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(5-methylhexan-2-ylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 60649248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).