4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine

C13H20ClN3O — CID 80945124

IUPAC4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(N2CCC(COC)C2)n1
InChIInChI=1S/C13H20ClN3O/c1-3-4-12-15-11(14)7-13(16-12)17-6-5-10(8-17)9-18-2/h7,10H,3-6,8-9H2,1-2H3
InChIKeyQPLMIFJASFTWRU-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.56
Rot. Bonds5

About 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine

4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine (PubChem CID 80945124) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine
PubChem CID80945124
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(N2CCC(COC)C2)n1
InChIInChI=1S/C13H20ClN3O/c1-3-4-12-15-11(14)7-13(16-12)17-6-5-10(8-17)9-18-2/h7,10H,3-6,8-9H2,1-2H3
InChIKeyQPLMIFJASFTWRU-UHFFFAOYSA-N
XLogP2.56
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine
CID 80949806
3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 80945238
4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine
CID 80945946
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 64596616
4-chloro-6-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129471026
6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
CID 113419496
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 106588148
4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-2-propylpyrimidine
CID 114221426
1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 80936809
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 106587160
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine (CID 80945124) is 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine is CCCc1nc(Cl)cc(N2CCC(COC)C2)n1.
What is the InChIKey of 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine?
The InChIKey is QPLMIFJASFTWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-4-12-15-11(14)7-13(16-12)17-6-5-10(8-17)9-18-2/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine?
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine has a molecular weight of 269.78 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine is sourced from PubChem (CID 80945124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).