2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine

C11H17N3O — CID 58336216

IUPAC2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCCOc1nc(C)cc(N2CCCC2)n1
InChIInChI=1S/C11H17N3O/c1-3-15-11-12-9(2)8-10(13-11)14-6-4-5-7-14/h8H,3-7H2,1-2H3
InChIKeyMCVGVLYMNGAAEF-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.78
Rot. Bonds3

About 2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine

2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 58336216) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine
PubChem CID58336216
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCCOc1nc(C)cc(N2CCCC2)n1
InChIInChI=1S/C11H17N3O/c1-3-15-11-12-9(2)8-10(13-11)14-6-4-5-7-14/h8H,3-7H2,1-2H3
InChIKeyMCVGVLYMNGAAEF-UHFFFAOYSA-N
XLogP1.78
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid
CID 144967793
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
4-methyl-N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909304
4-bromo-2-ethoxy-6-methylpyrimidine
CID 115029853
4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine
CID 178092241
4-ethoxy-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 71807436
2-[4-(4-ethoxy-3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 27652034
4-(dimethoxymethyl)-2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidine
CID 138491809
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-ylpyrimidine
CID 27653118
(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)hydrazine
CID 80927767
[4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol
CID 130978683
6,7-diethoxy-3-pyrrolidin-1-ylisoquinoline
CID 942846

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine (CID 58336216) is 2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine is CCOc1nc(C)cc(N2CCCC2)n1.
What is the InChIKey of 2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is MCVGVLYMNGAAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-15-11-12-9(2)8-10(13-11)14-6-4-5-7-14/h8H,3-7H2,1-2H3.
What are the key properties of 2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine?
2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 207.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 58336216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).