2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine

C14H23N3 — CID 96597490

IUPAC2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine
SMILESCc1ncc(CC(C)C)c(C2CCNCC2)n1
InChIInChI=1S/C14H23N3/c1-10(2)8-13-9-16-11(3)17-14(13)12-4-6-15-7-5-12/h9-10,12,15H,4-8H2,1-3H3
InChIKeyDBSLVIPILMYXAV-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.45
Rot. Bonds3

About 2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine

2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine (PubChem CID 96597490) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine
PubChem CID96597490
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine
SMILESCc1ncc(CC(C)C)c(C2CCNCC2)n1
InChIInChI=1S/C14H23N3/c1-10(2)8-13-9-16-11(3)17-14(13)12-4-6-15-7-5-12/h9-10,12,15H,4-8H2,1-3H3
InChIKeyDBSLVIPILMYXAV-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine
CID 118759817
5-(2-methylpropyl)-4-pyrrolidin-3-ylpyrimidine
CID 82396174
4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine
CID 117260673
1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine
CID 96599519
4-(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)piperidine
CID 105461163
4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine
CID 116893542
5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86277244
4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
CID 67113242
N-[2,2-difluoro-2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine;hydrochloride
CID 118378258
2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 175780766
1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
CID 90100798
4-cyclopropyl-2-(2-methylpropyl)pyrimidin-5-amine
CID 130483729

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine (CID 96597490) is 2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine is Cc1ncc(CC(C)C)c(C2CCNCC2)n1.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine?
The InChIKey is DBSLVIPILMYXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10(2)8-13-9-16-11(3)17-14(13)12-4-6-15-7-5-12/h9-10,12,15H,4-8H2,1-3H3.
What are the key properties of 2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine?
2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine has a molecular weight of 233.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-4-piperidin-4-ylpyrimidine is sourced from PubChem (CID 96597490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).