5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine

C22H36N2O2 — CID 19839770

IUPAC5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine
SMILESCCCCCc1cnc(C2CCC(C3OCC(CCC)CO3)CC2)nc1
InChIInChI=1S/C22H36N2O2/c1-3-5-6-8-17-13-23-21(24-14-17)19-9-11-20(12-10-19)22-25-15-18(7-4-2)16-26-22/h13-14,18-20,22H,3-12,15-16H2,1-2H3
InChIKeyUYGRXLDCEUJEPS-UHFFFAOYSA-N
MW360.54 g/mol
LogP5.27
Rot. Bonds8

About 5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine

5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine (PubChem CID 19839770) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine.

Molecular Properties

Compound Name5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine
PubChem CID19839770
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine
SMILESCCCCCc1cnc(C2CCC(C3OCC(CCC)CO3)CC2)nc1
InChIInChI=1S/C22H36N2O2/c1-3-5-6-8-17-13-23-21(24-14-17)19-9-11-20(12-10-19)22-25-15-18(7-4-2)16-26-22/h13-14,18-20,22H,3-12,15-16H2,1-2H3
InChIKeyUYGRXLDCEUJEPS-UHFFFAOYSA-N
XLogP5.27
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-5-pentyl-2-[4-(5-pentyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine
CID 20162140
4-Fluoro-5-heptyl-2-[4-(5-pentyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine
CID 20162212
4-Fluoro-2-[4-(5-pentyl-1,3-dioxan-2-yl)cyclohexyl]-5-propylpyrimidine
CID 20162393
4-Fluoro-2-[4-(5-pentyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine-5-carbonitrile
CID 20162549
5-Butyl-4-fluoro-2-[4-(5-pentyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine
CID 20162599
5-Ethyl-4-fluoro-2-[4-(5-pentyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine
CID 20162641
5-[4-(4-Pentoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine
CID 23190458
5-[4-(4-Heptoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine
CID 23190519
5-[4-(4-Ethoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine
CID 23190624
5-[4-(4-Butoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine
CID 23190686
5-[4-(4-Propoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine
CID 23190815
5-Butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine
CID 59876036

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine?
The IUPAC name of 5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine (CID 19839770) is 5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine.
What is the SMILES notation for 5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine?
The canonical SMILES for 5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine is CCCCCc1cnc(C2CCC(C3OCC(CCC)CO3)CC2)nc1.
What is the InChIKey of 5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine?
The InChIKey is UYGRXLDCEUJEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-3-5-6-8-17-13-23-21(24-14-17)19-9-11-20(12-10-19)22-25-15-18(7-4-2)16-26-22/h13-14,18-20,22H,3-12,15-16H2,1-2H3.
What are the key properties of 5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine?
5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine has a molecular weight of 360.54 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine is sourced from PubChem (CID 19839770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).