(2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide

C16H27N5O — CID 56712466

IUPAC(2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide
SMILESCC[C@H](C)[C@H](Nc1cc(C2CCNCC2)nc(C)n1)C(N)=O
InChIInChI=1S/C16H27N5O/c1-4-10(2)15(16(17)22)21-14-9-13(19-11(3)20-14)12-5-7-18-8-6-12/h9-10,12,15,18H,4-8H2,1-3H3,(H2,17,22)(H,19,20,21)/t10-,15-/m0/s1
InChIKeyDMGAUQOFWGUBNF-BONVTDFDSA-N
MW305.43 g/mol
LogP1.56
Rot. Bonds6

About (2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide

(2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide (PubChem CID 56712466) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide
PubChem CID56712466
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name(2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide
SMILESCC[C@H](C)[C@H](Nc1cc(C2CCNCC2)nc(C)n1)C(N)=O
InChIInChI=1S/C16H27N5O/c1-4-10(2)15(16(17)22)21-14-9-13(19-11(3)20-14)12-5-7-18-8-6-12/h9-10,12,15,18H,4-8H2,1-3H3,(H2,17,22)(H,19,20,21)/t10-,15-/m0/s1
InChIKeyDMGAUQOFWGUBNF-BONVTDFDSA-N
XLogP1.56
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide 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 (2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide?
The IUPAC name of (2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide (CID 56712466) is (2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for (2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide is CC[C@H](C)[C@H](Nc1cc(C2CCNCC2)nc(C)n1)C(N)=O.
What is the InChIKey of (2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide?
The InChIKey is DMGAUQOFWGUBNF-BONVTDFDSA-N. The full InChI is InChI=1S/C16H27N5O/c1-4-10(2)15(16(17)22)21-14-9-13(19-11(3)20-14)12-5-7-18-8-6-12/h9-10,12,15,18H,4-8H2,1-3H3,(H2,17,22)(H,19,20,21)/t10-,15-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide?
(2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide has a molecular weight of 305.43 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 56712466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).