N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine

C14H24N4O — CID 106321862

IUPACN-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine
SMILESCCCOc1ccnc(N2CCC(C)(CNC)C2)n1
InChIInChI=1S/C14H24N4O/c1-4-9-19-12-5-7-16-13(17-12)18-8-6-14(2,11-18)10-15-3/h5,7,15H,4,6,8-11H2,1-3H3
InChIKeyYGVUFFCVJGBMOE-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.70
Rot. Bonds6

About N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine

N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine (PubChem CID 106321862) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine
PubChem CID106321862
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine
SMILESCCCOc1ccnc(N2CCC(C)(CNC)C2)n1
InChIInChI=1S/C14H24N4O/c1-4-9-19-12-5-7-16-13(17-12)18-8-6-14(2,11-18)10-15-3/h5,7,15H,4,6,8-11H2,1-3H3
InChIKeyYGVUFFCVJGBMOE-UHFFFAOYSA-N
XLogP1.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine
CID 107164370
N-methyl-1-(3-methyl-1-pyridin-4-ylpyrrolidin-3-yl)methanamine
CID 106321908
1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine
CID 106321968
1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321701
1-[1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321805
2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine
CID 112638716
1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321931
1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321981
1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166350
2-(4-bromo-3-methylpiperidin-1-yl)-4-propoxypyrimidine
CID 114682716
3-ethyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine
CID 112638807
3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325451

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine (CID 106321862) is N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine is CCCOc1ccnc(N2CCC(C)(CNC)C2)n1.
What is the InChIKey of N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is YGVUFFCVJGBMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-9-19-12-5-7-16-13(17-12)18-8-6-14(2,11-18)10-15-3/h5,7,15H,4,6,8-11H2,1-3H3.
What are the key properties of N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 264.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106321862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).