4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine

C15H17ClN2O — CID 43557749

IUPAC4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine
SMILESCCOc1ccccc1-c1nc(Cl)cc(C(C)C)n1
InChIInChI=1S/C15H17ClN2O/c1-4-19-13-8-6-5-7-11(13)15-17-12(10(2)3)9-14(16)18-15/h5-10H,4H2,1-3H3
InChIKeyRQDHLSSFFBFCAH-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.32
Rot. Bonds4

About 4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine

4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine (PubChem CID 43557749) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine
PubChem CID43557749
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine
SMILESCCOc1ccccc1-c1nc(Cl)cc(C(C)C)n1
InChIInChI=1S/C15H17ClN2O/c1-4-19-13-8-6-5-7-11(13)15-17-12(10(2)3)9-14(16)18-15/h5-10H,4H2,1-3H3
InChIKeyRQDHLSSFFBFCAH-UHFFFAOYSA-N
XLogP4.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine
CID 43557608
2-(2-ethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690146
5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine
CID 66311864
4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine
CID 63405375
4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 115532938
3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
CID 61277730
4-chloro-2-(2-ethoxyphenyl)pyridine
CID 102825098
4-(2-ethoxyphenyl)-1,3,5-triazin-2-amine
CID 115534558
4,6-dichloro-2-(2-ethylphenyl)pyrimidine
CID 63612271
3-(2-ethoxyphenyl)-1,2,4-triazine
CID 139592958
3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 115534345
4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 78909366

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine (CID 43557749) is 4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine is CCOc1ccccc1-c1nc(Cl)cc(C(C)C)n1.
What is the InChIKey of 4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine?
The InChIKey is RQDHLSSFFBFCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-4-19-13-8-6-5-7-11(13)15-17-12(10(2)3)9-14(16)18-15/h5-10H,4H2,1-3H3.
What are the key properties of 4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine?
4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine has a molecular weight of 276.77 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 43557749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).