(3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide

C12H19N5O — CID 97351850

IUPAC(3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide
SMILESCc1cc(C)nc(N[C@H]2CCCN(C(N)=O)C2)n1
InChIInChI=1S/C12H19N5O/c1-8-6-9(2)15-12(14-8)16-10-4-3-5-17(7-10)11(13)18/h6,10H,3-5,7H2,1-2H3,(H2,13,18)(H,14,15,16)/t10-/m0/s1
InChIKeyDIUASVPQEPTOEB-JTQLQIEISA-N
MW249.32 g/mol
LogP1.05
Rot. Bonds2

About (3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide

(3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide (PubChem CID 97351850) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide
PubChem CID97351850
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide
SMILESCc1cc(C)nc(N[C@H]2CCCN(C(N)=O)C2)n1
InChIInChI=1S/C12H19N5O/c1-8-6-9(2)15-12(14-8)16-10-4-3-5-17(7-10)11(13)18/h6,10H,3-5,7H2,1-2H3,(H2,13,18)(H,14,15,16)/t10-/m0/s1
InChIKeyDIUASVPQEPTOEB-JTQLQIEISA-N
XLogP1.05
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide (CID 97351850) is (3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide is Cc1cc(C)nc(N[C@H]2CCCN(C(N)=O)C2)n1.
What is the InChIKey of (3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide?
The InChIKey is DIUASVPQEPTOEB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N5O/c1-8-6-9(2)15-12(14-8)16-10-4-3-5-17(7-10)11(13)18/h6,10H,3-5,7H2,1-2H3,(H2,13,18)(H,14,15,16)/t10-/m0/s1.
What are the key properties of (3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide?
(3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 97351850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).