6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione

C15H28N4O2 — CID 60919996

IUPAC6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)CC(C)Nc1c(N)n(CC(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C15H28N4O2/c1-9(2)7-11(5)17-12-13(16)19(8-10(3)4)15(21)18(6)14(12)20/h9-11,17H,7-8,16H2,1-6H3
InChIKeyOMTJVECSTCNZEQ-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.63
Rot. Bonds6

About 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 60919996) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID60919996
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)CC(C)Nc1c(N)n(CC(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C15H28N4O2/c1-9(2)7-11(5)17-12-13(16)19(8-10(3)4)15(21)18(6)14(12)20/h9-11,17H,7-8,16H2,1-6H3
InChIKeyOMTJVECSTCNZEQ-UHFFFAOYSA-N
XLogP1.63
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 60919996) is 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)CC(C)Nc1c(N)n(CC(C)C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is OMTJVECSTCNZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-9(2)7-11(5)17-12-13(16)19(8-10(3)4)15(21)18(6)14(12)20/h9-11,17H,7-8,16H2,1-6H3.
What are the key properties of 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 296.42 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 60919996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).