4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine

C16H22N2O — CID 86001320

IUPAC4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine
SMILESCCC#CCOc1cc(CC2CCCCC2)ncn1
InChIInChI=1S/C16H22N2O/c1-2-3-7-10-19-16-12-15(17-13-18-16)11-14-8-5-4-6-9-14/h12-14H,2,4-6,8-11H2,1H3
InChIKeyIEWBZUNJQGUVGM-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.39
Rot. Bonds4

About 4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine

4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine (PubChem CID 86001320) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine
PubChem CID86001320
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine
SMILESCCC#CCOc1cc(CC2CCCCC2)ncn1
InChIInChI=1S/C16H22N2O/c1-2-3-7-10-19-16-12-15(17-13-18-16)11-14-8-5-4-6-9-14/h12-14H,2,4-6,8-11H2,1H3
InChIKeyIEWBZUNJQGUVGM-UHFFFAOYSA-N
XLogP3.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-Diisobutoxy-6-(3-methyl-butyl)-pyrimidine
CID 25128805
4-(Fluoromethoxy)-6-propan-2-ylpyrimidine
CID 177852945
(3aR*,7aS*)-2-{2-[(6-ethylpyrimidin-4-yl)oxy]hex-5-en-1-yl}-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CID 56913069
4-But-2-ynoxy-6-[fluoro-(2-fluorophenyl)methyl]pyrimidine
CID 17933267
4-But-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine
CID 20748455
4-(2-Butynyloxy)-6-(3-fluorobenzyl)pyrimidine
CID 22599667
4-(2,6-Difluorophenyl)-6-(2-butynyloxy)pyrimidine
CID 22599673
4-(2,3-Difluorophenyl)-6-(2-hexynyloxy)pyrimidine
CID 22599687
4-(2-Butynyloxy)-6-(4-fluorobenzyl)pyrimidine
CID 22599708
4-(3-Fluorophenyl)-6-(2-butynyloxy)pyrimidine
CID 22599720
4-But-2-ynoxy-6-[difluoro-(2-fluorophenyl)methyl]pyrimidine
CID 22599736
4-(2-Fluorophenyl)-6-(3-pentynyloxy)pyrimidine
CID 22599746

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine?
The IUPAC name of 4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine (CID 86001320) is 4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine?
The canonical SMILES for 4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine is CCC#CCOc1cc(CC2CCCCC2)ncn1.
What is the InChIKey of 4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine?
The InChIKey is IEWBZUNJQGUVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-3-7-10-19-16-12-15(17-13-18-16)11-14-8-5-4-6-9-14/h12-14H,2,4-6,8-11H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine?
4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine has a molecular weight of 258.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-pent-2-ynoxypyrimidine is sourced from PubChem (CID 86001320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).