2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine

C16H25N3 — CID 110269100

IUPAC2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(C2CCN(C3CCCCC3)C2)n1
InChIInChI=1S/C16H25N3/c1-12-10-13(2)18-16(17-12)14-8-9-19(11-14)15-6-4-3-5-7-15/h10,14-15H,3-9,11H2,1-2H3
InChIKeyHEVYTQPSLUXYRQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.22
Rot. Bonds2

About 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine

2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine (PubChem CID 110269100) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine
PubChem CID110269100
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(C2CCN(C3CCCCC3)C2)n1
InChIInChI=1S/C16H25N3/c1-12-10-13(2)18-16(17-12)14-8-9-19(11-14)15-6-4-3-5-7-15/h10,14-15H,3-9,11H2,1-2H3
InChIKeyHEVYTQPSLUXYRQ-UHFFFAOYSA-N
XLogP3.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine (CID 110269100) is 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine is Cc1cc(C)nc(C2CCN(C3CCCCC3)C2)n1.
What is the InChIKey of 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine?
The InChIKey is HEVYTQPSLUXYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-10-13(2)18-16(17-12)14-8-9-19(11-14)15-6-4-3-5-7-15/h10,14-15H,3-9,11H2,1-2H3.
What are the key properties of 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine?
2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine has a molecular weight of 259.40 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine is sourced from PubChem (CID 110269100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).