5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine

C19H29ClN2O3 — CID 15346468

IUPAC5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine
SMILESCCc1ncnc(OC2CCC3(CC2)OCC(CC)(CC)CO3)c1Cl
InChIInChI=1S/C19H29ClN2O3/c1-4-15-16(20)17(22-13-21-15)25-14-7-9-19(10-8-14)23-11-18(5-2,6-3)12-24-19/h13-14H,4-12H2,1-3H3
InChIKeyKWDLYIRFNWGRTD-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.56
Rot. Bonds5

About 5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine

5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine (PubChem CID 15346468) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is 5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine
PubChem CID15346468
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Name5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine
SMILESCCc1ncnc(OC2CCC3(CC2)OCC(CC)(CC)CO3)c1Cl
InChIInChI=1S/C19H29ClN2O3/c1-4-15-16(20)17(22-13-21-15)25-14-7-9-19(10-8-14)23-11-18(5-2,6-3)12-24-19/h13-14H,4-12H2,1-3H3
InChIKeyKWDLYIRFNWGRTD-UHFFFAOYSA-N
XLogP4.56
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine?
The IUPAC name of 5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine (CID 15346468) is 5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine.
What is the SMILES notation for 5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine?
The canonical SMILES for 5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine is CCc1ncnc(OC2CCC3(CC2)OCC(CC)(CC)CO3)c1Cl.
What is the InChIKey of 5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine?
The InChIKey is KWDLYIRFNWGRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O3/c1-4-15-16(20)17(22-13-21-15)25-14-7-9-19(10-8-14)23-11-18(5-2,6-3)12-24-19/h13-14H,4-12H2,1-3H3.
What are the key properties of 5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine?
5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine has a molecular weight of 368.91 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine is sourced from PubChem (CID 15346468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).