4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine

C13H14ClN3O — CID 63736584

IUPAC4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine
SMILESCCc1c(Cl)ncnc1OCCc1ccccn1
InChIInChI=1S/C13H14ClN3O/c1-2-11-12(14)16-9-17-13(11)18-8-6-10-5-3-4-7-15-10/h3-5,7,9H,2,6,8H2,1H3
InChIKeyXGCIIWAQRUZUFF-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.71
Rot. Bonds5

About 4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine

4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine (PubChem CID 63736584) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine
PubChem CID63736584
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine
SMILESCCc1c(Cl)ncnc1OCCc1ccccn1
InChIInChI=1S/C13H14ClN3O/c1-2-11-12(14)16-9-17-13(11)18-8-6-10-5-3-4-7-15-10/h3-5,7,9H,2,6,8H2,1H3
InChIKeyXGCIIWAQRUZUFF-UHFFFAOYSA-N
XLogP2.71
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine
CID 112587576
4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine
CID 63735543
5-bromo-4-(2-pyridin-2-ylethoxy)pyrimidine
CID 66320696
N-ethyl-5-methyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 80865448
6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55229872
4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
CID 55229669
2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine
CID 103319823
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
4-chloro-6-phenylmethoxy-5-propylpyrimidine
CID 63735015
7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline
CID 107313613
3-chloro-2-(2-pyridin-2-ylethoxy)pyridine-4-carboxylic acid
CID 107063375
(NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 60893000

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine (CID 63736584) is 4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine is CCc1c(Cl)ncnc1OCCc1ccccn1.
What is the InChIKey of 4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine?
The InChIKey is XGCIIWAQRUZUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-2-11-12(14)16-9-17-13(11)18-8-6-10-5-3-4-7-15-10/h3-5,7,9H,2,6,8H2,1H3.
What are the key properties of 4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine?
4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine has a molecular weight of 263.73 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine is sourced from PubChem (CID 63736584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).