6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine

C18H20BrClN4 — CID 166382757

IUPAC6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine
SMILESCC1CC(c2ccc(Br)cc2)CN1c1cc(NC2CC2)nc(Cl)n1
InChIInChI=1S/C18H20BrClN4/c1-11-8-13(12-2-4-14(19)5-3-12)10-24(11)17-9-16(21-15-6-7-15)22-18(20)23-17/h2-5,9,11,13,15H,6-8,10H2,1H3,(H,21,22,23)
InChIKeyDAOXEKWLRINNRS-UHFFFAOYSA-N
MW407.74 g/mol
LogP4.85
Rot. Bonds4

About 6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine

6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine (PubChem CID 166382757) has the molecular formula C18H20BrClN4 and a molecular weight of 407.74 g/mol. Its IUPAC name is 6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine
PubChem CID166382757
Molecular FormulaC18H20BrClN4
Molecular Weight407.74 g/mol
Exact Mass406.06
IUPAC Name6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine
SMILESCC1CC(c2ccc(Br)cc2)CN1c1cc(NC2CC2)nc(Cl)n1
InChIInChI=1S/C18H20BrClN4/c1-11-8-13(12-2-4-14(19)5-3-12)10-24(11)17-9-16(21-15-6-7-15)22-18(20)23-17/h2-5,9,11,13,15H,6-8,10H2,1H3,(H,21,22,23)
InChIKeyDAOXEKWLRINNRS-UHFFFAOYSA-N
XLogP4.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.74
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-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 6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine?
The IUPAC name of 6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine (CID 166382757) is 6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine is CC1CC(c2ccc(Br)cc2)CN1c1cc(NC2CC2)nc(Cl)n1.
What is the InChIKey of 6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine?
The InChIKey is DAOXEKWLRINNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN4/c1-11-8-13(12-2-4-14(19)5-3-12)10-24(11)17-9-16(21-15-6-7-15)22-18(20)23-17/h2-5,9,11,13,15H,6-8,10H2,1H3,(H,21,22,23).
What are the key properties of 6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine?
6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine has a molecular weight of 407.74 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 166382757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).