1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione

C13H23N3O2 — CID 142533042

IUPAC1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(C)(C)CC(C)(C)N)c(=O)[nH]c1=O
InChIInChI=1S/C13H23N3O2/c1-9-6-16(11(18)15-10(9)17)8-12(2,3)7-13(4,5)14/h6H,7-8,14H2,1-5H3,(H,15,17,18)
InChIKeyYJWURGXFEYJOTO-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.00
Rot. Bonds4

About 1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione

1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione (PubChem CID 142533042) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione
PubChem CID142533042
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(C)(C)CC(C)(C)N)c(=O)[nH]c1=O
InChIInChI=1S/C13H23N3O2/c1-9-6-16(11(18)15-10(9)17)8-12(2,3)7-13(4,5)14/h6H,7-8,14H2,1-5H3,(H,15,17,18)
InChIKeyYJWURGXFEYJOTO-UHFFFAOYSA-N
XLogP1.00
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione (CID 142533042) is 1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione is Cc1cn(CC(C)(C)CC(C)(C)N)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is YJWURGXFEYJOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-6-16(11(18)15-10(9)17)8-12(2,3)7-13(4,5)14/h6H,7-8,14H2,1-5H3,(H,15,17,18).
What are the key properties of 1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione?
1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 253.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,2,4-trimethylpentyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 142533042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).