4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine

C18H29ClF2N4 — CID 176675143

IUPAC4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine
SMILESCCc1nc(Cl)cc(N2CCCC(C)(C)C2)n1.CN1CCC(F)(F)C1
InChIInChI=1S/C13H20ClN3.C5H9F2N/c1-4-11-15-10(14)8-12(16-11)17-7-5-6-13(2,3)9-17;1-8-3-2-5(6,7)4-8/h8H,4-7,9H2,1-3H3;2-4H2,1H3
InChIKeyBARWDZDYLRSKBU-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.28
Rot. Bonds2

About 4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine

4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine (PubChem CID 176675143) has the molecular formula C18H29ClF2N4 and a molecular weight of 374.91 g/mol. Its IUPAC name is 4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine
PubChem CID176675143
Molecular FormulaC18H29ClF2N4
Molecular Weight374.91 g/mol
Exact Mass374.20
IUPAC Name4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine
SMILESCCc1nc(Cl)cc(N2CCCC(C)(C)C2)n1.CN1CCC(F)(F)C1
InChIInChI=1S/C13H20ClN3.C5H9F2N/c1-4-11-15-10(14)8-12(16-11)17-7-5-6-13(2,3)9-17;1-8-3-2-5(6,7)4-8/h8H,4-7,9H2,1-3H3;2-4H2,1H3
InChIKeyBARWDZDYLRSKBU-UHFFFAOYSA-N
XLogP4.28
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine?
The IUPAC name of 4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine (CID 176675143) is 4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine.
What is the SMILES notation for 4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine?
The canonical SMILES for 4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine is CCc1nc(Cl)cc(N2CCCC(C)(C)C2)n1.CN1CCC(F)(F)C1.
What is the InChIKey of 4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine?
The InChIKey is BARWDZDYLRSKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3.C5H9F2N/c1-4-11-15-10(14)8-12(16-11)17-7-5-6-13(2,3)9-17;1-8-3-2-5(6,7)4-8/h8H,4-7,9H2,1-3H3;2-4H2,1H3.
What are the key properties of 4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine?
4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine has a molecular weight of 374.91 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,3-dimethylpiperidin-1-yl)-2-ethylpyrimidine;3,3-difluoro-1-methylpyrrolidine is sourced from PubChem (CID 176675143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).