4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine

C14H23ClN2O — CID 116745694

IUPAC4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C(CC)(CC)OCC)n1
InChIInChI=1S/C14H23ClN2O/c1-5-9-11-10-12(15)17-13(16-11)14(6-2,7-3)18-8-4/h10H,5-9H2,1-4H3
InChIKeyCPRTUJDVNOBUSK-UHFFFAOYSA-N
MW270.80 g/mol
LogP4.13
Rot. Bonds7

About 4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine

4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine (PubChem CID 116745694) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine
PubChem CID116745694
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C(CC)(CC)OCC)n1
InChIInChI=1S/C14H23ClN2O/c1-5-9-11-10-12(15)17-13(16-11)14(6-2,7-3)18-8-4/h10H,5-9H2,1-4H3
InChIKeyCPRTUJDVNOBUSK-UHFFFAOYSA-N
XLogP4.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine
CID 116745855
4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine
CID 63085010
4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine
CID 61392924
4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine
CID 116745666
2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776158
4-chloro-2-methylsulfanyl-6-propylpyrimidine
CID 75132210
4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine
CID 116706142
(2-tert-butyl-6-chloropyrimidin-4-yl)methanamine
CID 83852104
6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine
CID 116775612
4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine
CID 116745703
2-[2-(3-ethoxypentan-3-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 116779353
[6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine
CID 116777561

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine (CID 116745694) is 4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine is CCCc1cc(Cl)nc(C(CC)(CC)OCC)n1.
What is the InChIKey of 4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine?
The InChIKey is CPRTUJDVNOBUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-5-9-11-10-12(15)17-13(16-11)14(6-2,7-3)18-8-4/h10H,5-9H2,1-4H3.
What are the key properties of 4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine?
4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine has a molecular weight of 270.80 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine is sourced from PubChem (CID 116745694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).