4-ethoxy-2-pyrrolidin-1-ylpyrimidine

C10H15N3O — CID 59525896

IUPAC4-ethoxy-2-pyrrolidin-1-ylpyrimidine
SMILESCCOc1ccnc(N2CCCC2)n1
InChIInChI=1S/C10H15N3O/c1-2-14-9-5-6-11-10(12-9)13-7-3-4-8-13/h5-6H,2-4,7-8H2,1H3
InChIKeyVMDLGUCPAYOPEY-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.48
Rot. Bonds3

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

4-ethoxy-2-pyrrolidin-1-ylpyrimidine (PubChem CID 59525896) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-ethoxy-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-ethoxy-2-pyrrolidin-1-ylpyrimidine
PubChem CID59525896
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-ethoxy-2-pyrrolidin-1-ylpyrimidine
SMILESCCOc1ccnc(N2CCCC2)n1
InChIInChI=1S/C10H15N3O/c1-2-14-9-5-6-11-10(12-9)13-7-3-4-8-13/h5-6H,2-4,7-8H2,1H3
InChIKeyVMDLGUCPAYOPEY-UHFFFAOYSA-N
XLogP1.48
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 161200423
2-[4-(2-bromoethyl)piperazin-1-yl]-4-ethoxypyrimidine
CID 112639380
4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 115974288
4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
CID 112638748
N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine
CID 115975647
4-[[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024296
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol
CID 131916729
1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine
CID 103577741
4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine
CID 133404794
N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 126780709

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-ethoxy-2-pyrrolidin-1-ylpyrimidine (CID 59525896) is 4-ethoxy-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-ethoxy-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-ethoxy-2-pyrrolidin-1-ylpyrimidine is CCOc1ccnc(N2CCCC2)n1.
What is the InChIKey of 4-ethoxy-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is VMDLGUCPAYOPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-14-9-5-6-11-10(12-9)13-7-3-4-8-13/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 4-ethoxy-2-pyrrolidin-1-ylpyrimidine?
4-ethoxy-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 193.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 59525896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).