2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine

C16H22N2O — CID 82245681

IUPAC2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESc1ccc(C2=NCCCN2)c(COC2CCCC2)c1
InChIInChI=1S/C16H22N2O/c1-4-9-15(16-17-10-5-11-18-16)13(6-1)12-19-14-7-2-3-8-14/h1,4,6,9,14H,2-3,5,7-8,10-12H2,(H,17,18)
InChIKeyIPTFRMYVSLLUHM-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.89
Rot. Bonds4

About 2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine

2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82245681) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82245681
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESc1ccc(C2=NCCCN2)c(COC2CCCC2)c1
InChIInChI=1S/C16H22N2O/c1-4-9-15(16-17-10-5-11-18-16)13(6-1)12-19-14-7-2-3-8-14/h1,4,6,9,14H,2-3,5,7-8,10-12H2,(H,17,18)
InChIKeyIPTFRMYVSLLUHM-UHFFFAOYSA-N
XLogP2.89
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239973
2-[2-(methoxymethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 82241061
2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82252865
1-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 82241351
2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240364
2-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744993
2-[2-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82242953
2-[2-[(2,6-dimethoxyphenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252949
2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine
CID 82247194
2-[2-(2-phenylethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 11311265
2-[2-(cycloheptyloxymethyl)phenyl]ethanamine
CID 115464843
8-(cyclopentyloxymethyl)quinoline
CID 126674909

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine (CID 82245681) is 2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine is c1ccc(C2=NCCCN2)c(COC2CCCC2)c1.
What is the InChIKey of 2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is IPTFRMYVSLLUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-9-15(16-17-10-5-11-18-16)13(6-1)12-19-14-7-2-3-8-14/h1,4,6,9,14H,2-3,5,7-8,10-12H2,(H,17,18).
What are the key properties of 2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 258.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82245681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).