4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C16H23ClN2O2 — CID 106470638

IUPAC4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCCOC1(c2nc(Cl)c3c(n2)CCOC3)CCC(C)CC1
InChIInChI=1S/C16H23ClN2O2/c1-3-21-16(7-4-11(2)5-8-16)15-18-13-6-9-20-10-12(13)14(17)19-15/h11H,3-10H2,1-2H3
InChIKeyOCUIBKLRQVTPCL-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.64
Rot. Bonds3

About 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106470638) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106470638
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESCCOC1(c2nc(Cl)c3c(n2)CCOC3)CCC(C)CC1
InChIInChI=1S/C16H23ClN2O2/c1-3-21-16(7-4-11(2)5-8-16)15-18-13-6-9-20-10-12(13)14(17)19-15/h11H,3-10H2,1-2H3
InChIKeyOCUIBKLRQVTPCL-UHFFFAOYSA-N
XLogP3.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine
CID 116745994
5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine
CID 116746252
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116745680
4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine
CID 116746348
2-(1-ethoxy-3-methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696180
3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 116780415
4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470799
4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470581
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775670
4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine
CID 116746038
4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470680
2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696148

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106470638) is 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is CCOC1(c2nc(Cl)c3c(n2)CCOC3)CCC(C)CC1.
What is the InChIKey of 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is OCUIBKLRQVTPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-21-16(7-4-11(2)5-8-16)15-18-13-6-9-20-10-12(13)14(17)19-15/h11H,3-10H2,1-2H3.
What are the key properties of 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 310.83 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106470638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).