4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine

C11H17N3 — CID 122609712

IUPAC4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine
SMILESCc1ccnc(C2CCCN(C)C2)n1
InChIInChI=1S/C11H17N3/c1-9-5-6-12-11(13-9)10-4-3-7-14(2)8-10/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyRTHPCNNQGGFVGZ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.59
Rot. Bonds1

About 4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine

4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine (PubChem CID 122609712) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine
PubChem CID122609712
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine
SMILESCc1ccnc(C2CCCN(C)C2)n1
InChIInChI=1S/C11H17N3/c1-9-5-6-12-11(13-9)10-4-3-7-14(2)8-10/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyRTHPCNNQGGFVGZ-UHFFFAOYSA-N
XLogP1.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine?
The IUPAC name of 4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine (CID 122609712) is 4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine is Cc1ccnc(C2CCCN(C)C2)n1.
What is the InChIKey of 4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine?
The InChIKey is RTHPCNNQGGFVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-5-6-12-11(13-9)10-4-3-7-14(2)8-10/h5-6,10H,3-4,7-8H2,1-2H3.
What are the key properties of 4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine?
4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine has a molecular weight of 191.28 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine is sourced from PubChem (CID 122609712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).