4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine

C15H20N2O2 — CID 22599690

IUPAC4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine
SMILESCC#CCOc1cc(OC2CCC(C)CC2)ncn1
InChIInChI=1S/C15H20N2O2/c1-3-4-9-18-14-10-15(17-11-16-14)19-13-7-5-12(2)6-8-13/h10-13H,5-9H2,1-2H3
InChIKeyNHMUYNICZZFGHO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.84
Rot. Bonds4

About 4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine

4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine (PubChem CID 22599690) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine
PubChem CID22599690
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine
SMILESCC#CCOc1cc(OC2CCC(C)CC2)ncn1
InChIInChI=1S/C15H20N2O2/c1-3-4-9-18-14-10-15(17-11-16-14)19-13-7-5-12(2)6-8-13/h10-13H,5-9H2,1-2H3
InChIKeyNHMUYNICZZFGHO-UHFFFAOYSA-N
XLogP2.84
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(Cyclohexylmethoxy)pyrimidin-4-amine
CID 80880310
4-Cyclohexylmethoxy-pyrimidine
CID 138454370
4-But-2-ynoxy-6-(3-fluoro-3-methylbutan-2-yl)oxypyrimidine
CID 17979110
4-(2-Butynyloxy)-6-(2-fluoro-2-methylpropyloxy)pyrimidine
CID 17979121
4-(2-Fluoro-1,2-dimethylpropyloxy)-6-(2-pentynyloxy)pyrimidine
CID 17979122
4-But-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine
CID 22599771
2-[2-(Ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine
CID 139621517
Trimethyl-[2-methyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidin-4-yl]stannane
CID 176233414
2-Methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
CID 177057431
4-[4-(Trifluoromethyl)cyclohexyl]oxypyrimidine
CID 178614500
4-Fluoro-6-(2-methylpentoxy)pyrimidine
CID 103283666
4-(2,6-Dimethyloxan-4-yl)oxy-6-fluoropyrimidine
CID 104044033

Frequently Asked Questions

What is the IUPAC name of 4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine?
The IUPAC name of 4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine (CID 22599690) is 4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine.
What is the SMILES notation for 4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine?
The canonical SMILES for 4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine is CC#CCOc1cc(OC2CCC(C)CC2)ncn1.
What is the InChIKey of 4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine?
The InChIKey is NHMUYNICZZFGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-4-9-18-14-10-15(17-11-16-14)19-13-7-5-12(2)6-8-13/h10-13H,5-9H2,1-2H3.
What are the key properties of 4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine?
4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine has a molecular weight of 260.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-ynoxy-6-(4-methylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 22599690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).