(3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one

C15H22N8O — CID 99795179

IUPAC(3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one
SMILESCc1nc(N[C@@H]2CCCN(c3ccnn3C)C2=O)nc(N(C)C)n1
InChIInChI=1S/C15H22N8O/c1-10-17-14(20-15(18-10)21(2)3)19-11-6-5-9-23(13(11)24)12-7-8-16-22(12)4/h7-8,11H,5-6,9H2,1-4H3,(H,17,18,19,20)/t11-/m1/s1
InChIKeyWQIACEIBGNKREG-LLVKDONJSA-N
MW330.40 g/mol
LogP0.59
Rot. Bonds4

About (3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one

(3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one (PubChem CID 99795179) has the molecular formula C15H22N8O and a molecular weight of 330.40 g/mol. Its IUPAC name is (3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one
PubChem CID99795179
Molecular FormulaC15H22N8O
Molecular Weight330.40 g/mol
Exact Mass330.19
IUPAC Name(3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one
SMILESCc1nc(N[C@@H]2CCCN(c3ccnn3C)C2=O)nc(N(C)C)n1
InChIInChI=1S/C15H22N8O/c1-10-17-14(20-15(18-10)21(2)3)19-11-6-5-9-23(13(11)24)12-7-8-16-22(12)4/h7-8,11H,5-6,9H2,1-4H3,(H,17,18,19,20)/t11-/m1/s1
InChIKeyWQIACEIBGNKREG-LLVKDONJSA-N
XLogP0.59
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of (3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one (CID 99795179) is (3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for (3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for (3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one is Cc1nc(N[C@@H]2CCCN(c3ccnn3C)C2=O)nc(N(C)C)n1.
What is the InChIKey of (3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one?
The InChIKey is WQIACEIBGNKREG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N8O/c1-10-17-14(20-15(18-10)21(2)3)19-11-6-5-9-23(13(11)24)12-7-8-16-22(12)4/h7-8,11H,5-6,9H2,1-4H3,(H,17,18,19,20)/t11-/m1/s1.
What are the key properties of (3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one?
(3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one has a molecular weight of 330.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 99795179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).