6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione

C14H25N5O2 — CID 61360583

IUPAC6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC2CCN(C)C2)c(=O)n(C)c1=O
InChIInChI=1S/C14H25N5O2/c1-9(2)7-19-12(15)11(13(20)18(4)14(19)21)16-10-5-6-17(3)8-10/h9-10,16H,5-8,15H2,1-4H3
InChIKeyXBANQTHVQVYVJL-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.10
Rot. Bonds4

About 6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione

6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione (PubChem CID 61360583) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione
PubChem CID61360583
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC2CCN(C)C2)c(=O)n(C)c1=O
InChIInChI=1S/C14H25N5O2/c1-9(2)7-19-12(15)11(13(20)18(4)14(19)21)16-10-5-6-17(3)8-10/h9-10,16H,5-8,15H2,1-4H3
InChIKeyXBANQTHVQVYVJL-UHFFFAOYSA-N
XLogP-0.10
TPSA85.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione (CID 61360583) is 6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione is CC(C)Cn1c(N)c(NC2CCN(C)C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione?
The InChIKey is XBANQTHVQVYVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-9(2)7-19-12(15)11(13(20)18(4)14(19)21)16-10-5-6-17(3)8-10/h9-10,16H,5-8,15H2,1-4H3.
What are the key properties of 6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione?
6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione has a molecular weight of 295.39 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 61360583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).