2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine

C10H14ClN3 — CID 126971307

IUPAC2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine
SMILESCCc1cc(N2CCCC2)nc(Cl)n1
InChIInChI=1S/C10H14ClN3/c1-2-8-7-9(13-10(11)12-8)14-5-3-4-6-14/h7H,2-6H2,1H3
InChIKeyYFYVFCVZTXLZKH-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.29
Rot. Bonds2

About 2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine

2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 126971307) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine
PubChem CID126971307
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine
SMILESCCc1cc(N2CCCC2)nc(Cl)n1
InChIInChI=1S/C10H14ClN3/c1-2-8-7-9(13-10(11)12-8)14-5-3-4-6-14/h7H,2-6H2,1H3
InChIKeyYFYVFCVZTXLZKH-UHFFFAOYSA-N
XLogP2.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol
CID 58336174
4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine
CID 178092241
1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane
CID 163347871
2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine
CID 130116427
1-[2-(azepan-1-yl)-6-ethyl-4-pyridinyl]-N-methylmethanamine
CID 113381283
2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol
CID 87522921
2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 82460544
2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 166460267
2-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)ethanamine
CID 83852725
4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 50970168
4-piperidin-1-yl-6-propylpyrimidin-2-amine
CID 172740401
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine (CID 126971307) is 2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine is CCc1cc(N2CCCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is YFYVFCVZTXLZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-2-8-7-9(13-10(11)12-8)14-5-3-4-6-14/h7H,2-6H2,1H3.
What are the key properties of 2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine?
2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 211.70 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 126971307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).