4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine

C12H19N3 — CID 95817120

IUPAC4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
SMILESCc1cc(C)nc([C@@H]2CCCCN2C)n1
InChIInChI=1S/C12H19N3/c1-9-8-10(2)14-12(13-9)11-6-4-5-7-15(11)3/h8,11H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyXLMJHFOBLSRECE-NSHDSACASA-N
MW205.31 g/mol
LogP2.25
Rot. Bonds1

About 4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine

4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine (PubChem CID 95817120) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
PubChem CID95817120
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
SMILESCc1cc(C)nc([C@@H]2CCCCN2C)n1
InChIInChI=1S/C12H19N3/c1-9-8-10(2)14-12(13-9)11-6-4-5-7-15(11)3/h8,11H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyXLMJHFOBLSRECE-NSHDSACASA-N
XLogP2.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine (CID 95817120) is 4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine is Cc1cc(C)nc([C@@H]2CCCCN2C)n1.
What is the InChIKey of 4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine?
The InChIKey is XLMJHFOBLSRECE-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3/c1-9-8-10(2)14-12(13-9)11-6-4-5-7-15(11)3/h8,11H,4-7H2,1-3H3/t11-/m0/s1.
What are the key properties of 4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine?
4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine has a molecular weight of 205.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine is sourced from PubChem (CID 95817120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).