4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine

C15H25N3 — CID 116893542

IUPAC4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine
SMILESCc1cc(CC(C)C)nc(CC2CCNCC2)n1
InChIInChI=1S/C15H25N3/c1-11(2)8-14-9-12(3)17-15(18-14)10-13-4-6-16-7-5-13/h9,11,13,16H,4-8,10H2,1-3H3
InChIKeyCMEKXBOQILLKPB-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.53
Rot. Bonds4

About 4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine

4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine (PubChem CID 116893542) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine
PubChem CID116893542
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine
SMILESCc1cc(CC(C)C)nc(CC2CCNCC2)n1
InChIInChI=1S/C15H25N3/c1-11(2)8-14-9-12(3)17-15(18-14)10-13-4-6-16-7-5-13/h9,11,13,16H,4-8,10H2,1-3H3
InChIKeyCMEKXBOQILLKPB-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4,6-dimethylpyrimidin-2-yl)methyl]azepane
CID 84685067
4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-(piperidin-4-ylmethyl)pyrimidine
CID 110101106
4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine
CID 82666679
2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine
CID 116893669
4-methyl-6-(2-methylpropyl)-2-piperidin-2-ylpyrimidine
CID 116893407
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]ethanamine
CID 116892597
3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116893625
1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one
CID 116895408
4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one
CID 116895673
4-methyl-6-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 83858474
5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine
CID 105459668
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine?
The IUPAC name of 4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine (CID 116893542) is 4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine.
What is the SMILES notation for 4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine?
The canonical SMILES for 4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine is Cc1cc(CC(C)C)nc(CC2CCNCC2)n1.
What is the InChIKey of 4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine?
The InChIKey is CMEKXBOQILLKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11(2)8-14-9-12(3)17-15(18-14)10-13-4-6-16-7-5-13/h9,11,13,16H,4-8,10H2,1-3H3.
What are the key properties of 4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine?
4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine has a molecular weight of 247.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine is sourced from PubChem (CID 116893542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).