1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine

C11H18N4O — CID 103577741

IUPAC1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine
SMILESCCOc1ccnc(N2CC(C)C(N)C2)n1
InChIInChI=1S/C11H18N4O/c1-3-16-10-4-5-13-11(14-10)15-6-8(2)9(12)7-15/h4-5,8-9H,3,6-7,12H2,1-2H3
InChIKeyLUWCLCHPRMIWJR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.66
Rot. Bonds3

About 1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine

1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine (PubChem CID 103577741) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine
PubChem CID103577741
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine
SMILESCCOc1ccnc(N2CC(C)C(N)C2)n1
InChIInChI=1S/C11H18N4O/c1-3-16-10-4-5-13-11(14-10)15-6-8(2)9(12)7-15/h4-5,8-9H,3,6-7,12H2,1-2H3
InChIKeyLUWCLCHPRMIWJR-UHFFFAOYSA-N
XLogP0.66
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
CID 112638748
2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol
CID 131916729
4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide
CID 146105812
2-[4-(2-bromoethyl)piperazin-1-yl]-4-ethoxypyrimidine
CID 112639380
4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 161200423
2-(4-bromo-3-methylpiperidin-1-yl)-4-propoxypyrimidine
CID 114682716
3-ethyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine
CID 112638807
N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine
CID 115975647
3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325451
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 115974288

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine (CID 103577741) is 1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine is CCOc1ccnc(N2CC(C)C(N)C2)n1.
What is the InChIKey of 1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine?
The InChIKey is LUWCLCHPRMIWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-16-10-4-5-13-11(14-10)15-6-8(2)9(12)7-15/h4-5,8-9H,3,6-7,12H2,1-2H3.
What are the key properties of 1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine?
1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine has a molecular weight of 222.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103577741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).