2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

C11H16ClFN4 — CID 79075794

IUPAC2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESCN1CCC(CN(C)c2nc(Cl)ncc2F)C1
InChIInChI=1S/C11H16ClFN4/c1-16-4-3-8(6-16)7-17(2)10-9(13)5-14-11(12)15-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyOLASDRVLUMNKSZ-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.66
Rot. Bonds3

About 2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (PubChem CID 79075794) has the molecular formula C11H16ClFN4 and a molecular weight of 258.73 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
PubChem CID79075794
Molecular FormulaC11H16ClFN4
Molecular Weight258.73 g/mol
Exact Mass258.10
IUPAC Name2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESCN1CCC(CN(C)c2nc(Cl)ncc2F)C1
InChIInChI=1S/C11H16ClFN4/c1-16-4-3-8(6-16)7-17(2)10-9(13)5-14-11(12)15-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyOLASDRVLUMNKSZ-UHFFFAOYSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (CID 79075794) is 2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is CN1CCC(CN(C)c2nc(Cl)ncc2F)C1.
What is the InChIKey of 2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is OLASDRVLUMNKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN4/c1-16-4-3-8(6-16)7-17(2)10-9(13)5-14-11(12)15-10/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 258.73 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79075794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).