2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine

C11H16ClN3 — CID 79075237

IUPAC2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine
SMILESCCC1CCCN1c1nc(Cl)ncc1C
InChIInChI=1S/C11H16ClN3/c1-3-9-5-4-6-15(9)10-8(2)7-13-11(12)14-10/h7,9H,3-6H2,1-2H3
InChIKeySQXVMXLIQSVFAM-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.82
Rot. Bonds2

About 2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine

2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine (PubChem CID 79075237) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine
PubChem CID79075237
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine
SMILESCCC1CCCN1c1nc(Cl)ncc1C
InChIInChI=1S/C11H16ClN3/c1-3-9-5-4-6-15(9)10-8(2)7-13-11(12)14-10/h7,9H,3-6H2,1-2H3
InChIKeySQXVMXLIQSVFAM-UHFFFAOYSA-N
XLogP2.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 79075782
1-(2-chloro-5-methylpyrimidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 79072823
6-(2-ethylpyrrolidin-1-yl)-5-methylpyridin-3-amine
CID 62476384
[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 97044430
5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
CID 103583016
5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine
CID 83056222
3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine
CID 61255936
[2-(2-ethylpyrrolidin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61254337
[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 62299264
4-(2-chloro-5-methylpyrimidin-4-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 79072587
[6-(2-ethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80631427
3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine
CID 106876417

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine (CID 79075237) is 2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine is CCC1CCCN1c1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine?
The InChIKey is SQXVMXLIQSVFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-3-9-5-4-6-15(9)10-8(2)7-13-11(12)14-10/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine?
2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine has a molecular weight of 225.72 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 79075237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).