4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine

C20H18Cl2N4 — CID 11998979

IUPAC4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine
SMILESNC1CN(c2nccc(-c3ccccc3)n2)CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2N4/c21-14-6-7-15(17(22)10-14)16-11-26(12-18(16)23)20-24-9-8-19(25-20)13-4-2-1-3-5-13/h1-10,16,18H,11-12,23H2
InChIKeyANEZVMLVQSLOFS-UHFFFAOYSA-N
MW385.30 g/mol
LogP4.38
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine

4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine (PubChem CID 11998979) has the molecular formula C20H18Cl2N4 and a molecular weight of 385.30 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine
PubChem CID11998979
Molecular FormulaC20H18Cl2N4
Molecular Weight385.30 g/mol
Exact Mass384.09
IUPAC Name4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine
SMILESNC1CN(c2nccc(-c3ccccc3)n2)CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2N4/c21-14-6-7-15(17(22)10-14)16-11-26(12-18(16)23)20-24-9-8-19(25-20)13-4-2-1-3-5-13/h1-10,16,18H,11-12,23H2
InChIKeyANEZVMLVQSLOFS-UHFFFAOYSA-N
XLogP4.38
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine (CID 11998979) is 4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine is NC1CN(c2nccc(-c3ccccc3)n2)CC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine?
The InChIKey is ANEZVMLVQSLOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4/c21-14-6-7-15(17(22)10-14)16-11-26(12-18(16)23)20-24-9-8-19(25-20)13-4-2-1-3-5-13/h1-10,16,18H,11-12,23H2.
What are the key properties of 4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine?
4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine has a molecular weight of 385.30 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 11998979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).