1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine

C19H26FN5 — CID 47052615

IUPAC1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine
SMILESCN(C)C(CNCc1cnc(N2CCCC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C19H26FN5/c1-24(2)18(16-5-7-17(20)8-6-16)14-21-11-15-12-22-19(23-13-15)25-9-3-4-10-25/h5-8,12-13,18,21H,3-4,9-11,14H2,1-2H3
InChIKeyMNYUUQJVYFGNID-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.61
Rot. Bonds7

About 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine

1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine (PubChem CID 47052615) has the molecular formula C19H26FN5 and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine
PubChem CID47052615
Molecular FormulaC19H26FN5
Molecular Weight343.45 g/mol
Exact Mass343.22
IUPAC Name1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine
SMILESCN(C)C(CNCc1cnc(N2CCCC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C19H26FN5/c1-24(2)18(16-5-7-17(20)8-6-16)14-21-11-15-12-22-19(23-13-15)25-9-3-4-10-25/h5-8,12-13,18,21H,3-4,9-11,14H2,1-2H3
InChIKeyMNYUUQJVYFGNID-UHFFFAOYSA-N
XLogP2.61
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine (CID 47052615) is 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine is CN(C)C(CNCc1cnc(N2CCCC2)nc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is MNYUUQJVYFGNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5/c1-24(2)18(16-5-7-17(20)8-6-16)14-21-11-15-12-22-19(23-13-15)25-9-3-4-10-25/h5-8,12-13,18,21H,3-4,9-11,14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine?
1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 343.45 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 47052615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).