2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine

C16H28N4O — CID 66331786

IUPAC2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCOc1cc(N2CCCC2CNCC(C)C)ncn1
InChIInChI=1S/C16H28N4O/c1-4-8-21-16-9-15(18-12-19-16)20-7-5-6-14(20)11-17-10-13(2)3/h9,12-14,17H,4-8,10-11H2,1-3H3
InChIKeyRESKTXQBQULETH-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.48
Rot. Bonds8

About 2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine

2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 66331786) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID66331786
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCOc1cc(N2CCCC2CNCC(C)C)ncn1
InChIInChI=1S/C16H28N4O/c1-4-8-21-16-9-15(18-12-19-16)20-7-5-6-14(20)11-17-10-13(2)3/h9,12-14,17H,4-8,10-11H2,1-3H3
InChIKeyRESKTXQBQULETH-UHFFFAOYSA-N
XLogP2.48
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine (CID 66331786) is 2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine is CCCOc1cc(N2CCCC2CNCC(C)C)ncn1.
What is the InChIKey of 2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is RESKTXQBQULETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-8-21-16-9-15(18-12-19-16)20-7-5-6-14(20)11-17-10-13(2)3/h9,12-14,17H,4-8,10-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66331786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).