4,6-dicyclopentylpyrimidine

C14H20N2 — CID 71817735

IUPAC4,6-dicyclopentylpyrimidine
SMILESc1nc(C2CCCC2)cc(C2CCCC2)n1
InChIInChI=1S/C14H20N2/c1-2-6-11(5-1)13-9-14(16-10-15-13)12-7-3-4-8-12/h9-12H,1-8H2
InChIKeyBXODCAPFVSFSCD-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.79
Rot. Bonds2

About 4,6-dicyclopentylpyrimidine

4,6-dicyclopentylpyrimidine (PubChem CID 71817735) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4,6-dicyclopentylpyrimidine.

Molecular Properties

Compound Name4,6-dicyclopentylpyrimidine
PubChem CID71817735
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4,6-dicyclopentylpyrimidine
SMILESc1nc(C2CCCC2)cc(C2CCCC2)n1
InChIInChI=1S/C14H20N2/c1-2-6-11(5-1)13-9-14(16-10-15-13)12-7-3-4-8-12/h9-12H,1-8H2
InChIKeyBXODCAPFVSFSCD-UHFFFAOYSA-N
XLogP3.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclobutyl-6-piperidin-4-ylpyrimidine
CID 83849257
6-cyclopentyl-N-propan-2-ylpyrimidin-4-amine
CID 126848182
4-cyclobutyl-6-ethynylpyrimidine
CID 122241553
7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane
CID 171337916
6-cyclopropylpyrimidin-4-amine
CID 45080491
1-(6-cyclobutylpyrimidin-4-yl)propan-2-amine
CID 83847176
[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 141272664
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136
2-[(6-cyclopentylpyrimidin-4-yl)amino]propanoic acid
CID 126848139
N-butan-2-yl-6-cyclobutylpyrimidin-4-amine
CID 126848123
2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid
CID 126848131
4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride
CID 165434530

Frequently Asked Questions

What is the IUPAC name of 4,6-dicyclopentylpyrimidine?
The IUPAC name of 4,6-dicyclopentylpyrimidine (CID 71817735) is 4,6-dicyclopentylpyrimidine.
What is the SMILES notation for 4,6-dicyclopentylpyrimidine?
The canonical SMILES for 4,6-dicyclopentylpyrimidine is c1nc(C2CCCC2)cc(C2CCCC2)n1.
What is the InChIKey of 4,6-dicyclopentylpyrimidine?
The InChIKey is BXODCAPFVSFSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-6-11(5-1)13-9-14(16-10-15-13)12-7-3-4-8-12/h9-12H,1-8H2.
What are the key properties of 4,6-dicyclopentylpyrimidine?
4,6-dicyclopentylpyrimidine has a molecular weight of 216.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dicyclopentylpyrimidine is sourced from PubChem (CID 71817735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).