3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine

C13H22N4O — CID 66332370

IUPAC3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine
SMILESCCOc1cc(N2CCCC2CCCN)ncn1
InChIInChI=1S/C13H22N4O/c1-2-18-13-9-12(15-10-16-13)17-8-4-6-11(17)5-3-7-14/h9-11H,2-8,14H2,1H3
InChIKeyUMDWBCWPQUXDLL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.58
Rot. Bonds6

About 3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine

3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine (PubChem CID 66332370) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine
PubChem CID66332370
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine
SMILESCCOc1cc(N2CCCC2CCCN)ncn1
InChIInChI=1S/C13H22N4O/c1-2-18-13-9-12(15-10-16-13)17-8-4-6-11(17)5-3-7-14/h9-11H,2-8,14H2,1H3
InChIKeyUMDWBCWPQUXDLL-UHFFFAOYSA-N
XLogP1.58
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 80663054
4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 66331141
4-ethoxy-6-(2-methylpyrrolidin-1-yl)pyrimidine
CID 133484854
3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
CID 55241037
N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine
CID 66318799
2-[1-(6-ethoxy-2-pyridinyl)piperidin-2-yl]ethanamine
CID 63767579
6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine
CID 115265366
4-[2-(2-chloroethyl)piperidin-1-yl]-6-propoxypyrimidine
CID 66333215
N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 66331777
3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 55243745
2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
CID 66333388
6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylpyrimidin-4-amine
CID 115265368

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine (CID 66332370) is 3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine is CCOc1cc(N2CCCC2CCCN)ncn1.
What is the InChIKey of 3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine?
The InChIKey is UMDWBCWPQUXDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-18-13-9-12(15-10-16-13)17-8-4-6-11(17)5-3-7-14/h9-11H,2-8,14H2,1H3.
What are the key properties of 3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine?
3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine has a molecular weight of 250.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 66332370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).