ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine

C11H19N3 — CID 178079017

IUPACethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESCC.Cc1ccnc(N2CCCC2)n1
InChIInChI=1S/C9H13N3.C2H6/c1-8-4-5-10-9(11-8)12-6-2-3-7-12;1-2/h4-5H,2-3,6-7H2,1H3;1-2H3
InChIKeyLTCCFLVZEAUOCS-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.41
Rot. Bonds1

About ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine

ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 178079017) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Nameethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
PubChem CID178079017
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Nameethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESCC.Cc1ccnc(N2CCCC2)n1
InChIInChI=1S/C9H13N3.C2H6/c1-8-4-5-10-9(11-8)12-6-2-3-7-12;1-2/h4-5H,2-3,6-7H2,1H3;1-2H3
InChIKeyLTCCFLVZEAUOCS-UHFFFAOYSA-N
XLogP2.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine
CID 129349446
2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
CID 170581547
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
3-ethyl-5-[4-(4-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 133334887
1-(4-methylpyrimidin-2-yl)azetidin-3-ol
CID 63283961
4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine
CID 51371027
2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310053
1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163350924

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine (CID 178079017) is ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine is CC.Cc1ccnc(N2CCCC2)n1.
What is the InChIKey of ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is LTCCFLVZEAUOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.C2H6/c1-8-4-5-10-9(11-8)12-6-2-3-7-12;1-2/h4-5H,2-3,6-7H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine?
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 193.29 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 178079017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).