4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine

C15H24ClN3O — CID 103501007

IUPAC4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCCOCc1nc(Cl)cc(N2CCC(C(C)C)CC2)n1
InChIInChI=1S/C15H24ClN3O/c1-4-20-10-14-17-13(16)9-15(18-14)19-7-5-12(6-8-19)11(2)3/h9,11-12H,4-8,10H2,1-3H3
InChIKeyRUDMOJPQTWUIBA-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.54
Rot. Bonds5

About 4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine

4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 103501007) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
PubChem CID103501007
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCCOCc1nc(Cl)cc(N2CCC(C(C)C)CC2)n1
InChIInChI=1S/C15H24ClN3O/c1-4-20-10-14-17-13(16)9-15(18-14)19-7-5-12(6-8-19)11(2)3/h9,11-12H,4-8,10H2,1-3H3
InChIKeyRUDMOJPQTWUIBA-UHFFFAOYSA-N
XLogP3.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 113401051
4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80943255
2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 113418376
2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 59598902
6-chloro-N-cyclohexyl-2-(ethoxymethyl)-N-methylpyrimidin-4-amine
CID 113400782
4-chloro-6-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129471026
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylazepane
CID 102715943
1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole
CID 103500895
2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 80936809
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine
CID 80945124
3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 80945238

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine (CID 103501007) is 4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine is CCOCc1nc(Cl)cc(N2CCC(C(C)C)CC2)n1.
What is the InChIKey of 4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is RUDMOJPQTWUIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-20-10-14-17-13(16)9-15(18-14)19-7-5-12(6-8-19)11(2)3/h9,11-12H,4-8,10H2,1-3H3.
What are the key properties of 4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 297.83 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 103501007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).