6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one

C11H19N5O — CID 175829454

IUPAC6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one
SMILES[2H]c1c(N)nc(N2CCC(C)(N)CC2)n(C)c1=O
InChIInChI=1S/C11H19N5O/c1-11(13)3-5-16(6-4-11)10-14-8(12)7-9(17)15(10)2/h7H,3-6,12-13H2,1-2H3/i7D
InChIKeyDHANOJRTHYGGBD-WHRKIXHSSA-N
MW238.31 g/mol
LogP-0.32
Rot. Bonds1

About 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one

6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one (PubChem CID 175829454) has the molecular formula C11H19N5O and a molecular weight of 238.31 g/mol. Its IUPAC name is 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one
PubChem CID175829454
Molecular FormulaC11H19N5O
Molecular Weight238.31 g/mol
Exact Mass238.17
IUPAC Name6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one
SMILES[2H]c1c(N)nc(N2CCC(C)(N)CC2)n(C)c1=O
InChIInChI=1S/C11H19N5O/c1-11(13)3-5-16(6-4-11)10-14-8(12)7-9(17)15(10)2/h7H,3-6,12-13H2,1-2H3/i7D
InChIKeyDHANOJRTHYGGBD-WHRKIXHSSA-N
XLogP-0.32
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one?
The IUPAC name of 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one (CID 175829454) is 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one?
The canonical SMILES for 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one is [2H]c1c(N)nc(N2CCC(C)(N)CC2)n(C)c1=O.
What is the InChIKey of 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one?
The InChIKey is DHANOJRTHYGGBD-WHRKIXHSSA-N. The full InChI is InChI=1S/C11H19N5O/c1-11(13)3-5-16(6-4-11)10-14-8(12)7-9(17)15(10)2/h7H,3-6,12-13H2,1-2H3/i7D.
What are the key properties of 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one?
6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one has a molecular weight of 238.31 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-amino-4-methylpiperidin-1-yl)-5-deuterio-3-methylpyrimidin-4-one is sourced from PubChem (CID 175829454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).