4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine

C20H19ClN2O2 — CID 59686866

IUPAC4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine
SMILESCCc1c(Cl)nc(OCc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C20H19ClN2O2/c1-2-17-18(21)22-20(25-14-16-11-7-4-8-12-16)23-19(17)24-13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3
InChIKeyQFJSNGCJUSOWSD-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.85
Rot. Bonds7

About 4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine

4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine (PubChem CID 59686866) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine
PubChem CID59686866
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine
SMILESCCc1c(Cl)nc(OCc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C20H19ClN2O2/c1-2-17-18(21)22-20(25-14-16-11-7-4-8-12-16)23-19(17)24-13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3
InChIKeyQFJSNGCJUSOWSD-UHFFFAOYSA-N
XLogP4.85
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-ethyl-6-phenylmethoxypyrimidine
CID 55230236
6-chloro-5-ethyl-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid
CID 159161134
2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine
CID 89421768
4-chloro-6-phenylmethoxy-5-propylpyrimidine
CID 63735015
6-methoxy-2,4-bis(phenylmethoxy)quinazoline
CID 18796746
4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine
CID 80974375
4,6-dimethoxy-2-phenylmethoxypyrimidine
CID 19977712
4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine
CID 80859346
4-ethylsulfonyl-5-nitro-2,6-bis(phenylmethoxy)pyrimidine
CID 14992221
5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid
CID 80517770
4-chloro-3,5-dimethyl-2-phenylmethoxypyridine
CID 139821187
2-bromo-5-chloro-3-phenylmethoxypyrazine
CID 121218855

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine (CID 59686866) is 4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine is CCc1c(Cl)nc(OCc2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of 4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine?
The InChIKey is QFJSNGCJUSOWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-2-17-18(21)22-20(25-14-16-11-7-4-8-12-16)23-19(17)24-13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3.
What are the key properties of 4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine?
4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine has a molecular weight of 354.84 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine is sourced from PubChem (CID 59686866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).