4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine

C12H18ClN3 — CID 80936019

IUPAC4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(N2CC(C)C(C)C2)n1
InChIInChI=1S/C12H18ClN3/c1-4-11-14-10(13)5-12(15-11)16-6-8(2)9(3)7-16/h5,8-9H,4,6-7H2,1-3H3
InChIKeyUPLYPWSRMZMDHX-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.78
Rot. Bonds2

About 4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine

4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine (PubChem CID 80936019) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine
PubChem CID80936019
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(N2CC(C)C(C)C2)n1
InChIInChI=1S/C12H18ClN3/c1-4-11-14-10(13)5-12(15-11)16-6-8(2)9(3)7-16/h5,8-9H,4,6-7H2,1-3H3
InChIKeyUPLYPWSRMZMDHX-UHFFFAOYSA-N
XLogP2.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 104959793
1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol
CID 131048087
3-(6-chloro-2-ethylpyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 80936821
4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80943255
1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 80936809
4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine
CID 80936627
3-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80936724
4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine
CID 80945946
2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)pyrazine
CID 79035105
[1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol
CID 121202573
1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline
CID 80935828
1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 80943520

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine?
The IUPAC name of 4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine (CID 80936019) is 4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine is CCc1nc(Cl)cc(N2CC(C)C(C)C2)n1.
What is the InChIKey of 4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine?
The InChIKey is UPLYPWSRMZMDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-4-11-14-10(13)5-12(15-11)16-6-8(2)9(3)7-16/h5,8-9H,4,6-7H2,1-3H3.
What are the key properties of 4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine?
4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine has a molecular weight of 239.75 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine is sourced from PubChem (CID 80936019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).