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

C11H17N5O3 — CID 64667200

IUPAC6-amino-1-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione
SMILESCN1CC(Nc2c(N)n(C)c(=O)[nH]c2=O)CCC1=O
InChIInChI=1S/C11H17N5O3/c1-15-5-6(3-4-7(15)17)13-8-9(12)16(2)11(19)14-10(8)18/h6,13H,3-5,12H2,1-2H3,(H,14,18,19)
InChIKeyKNHAJYHCRIZFSB-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.31
Rot. Bonds2

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

6-amino-1-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione (PubChem CID 64667200) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-amino-1-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione
PubChem CID64667200
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name6-amino-1-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione
SMILESCN1CC(Nc2c(N)n(C)c(=O)[nH]c2=O)CCC1=O
InChIInChI=1S/C11H17N5O3/c1-15-5-6(3-4-7(15)17)13-8-9(12)16(2)11(19)14-10(8)18/h6,13H,3-5,12H2,1-2H3,(H,14,18,19)
InChIKeyKNHAJYHCRIZFSB-UHFFFAOYSA-N
XLogP-1.31
TPSA113.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione (CID 64667200) is 6-amino-1-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione is CN1CC(Nc2c(N)n(C)c(=O)[nH]c2=O)CCC1=O.
What is the InChIKey of 6-amino-1-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione?
The InChIKey is KNHAJYHCRIZFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-15-5-6(3-4-7(15)17)13-8-9(12)16(2)11(19)14-10(8)18/h6,13H,3-5,12H2,1-2H3,(H,14,18,19).
What are the key properties of 6-amino-1-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione?
6-amino-1-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione has a molecular weight of 267.29 g/mol, XLogP of -1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 64667200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).