4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine

C18H17ClN4 — CID 68605789

IUPAC4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine
SMILESClc1ccc(-c2nc(N3CCCC3)ncc2C2C=CN=C2)cc1
InChIInChI=1S/C18H17ClN4/c19-15-5-3-13(4-6-15)17-16(14-7-8-20-11-14)12-21-18(22-17)23-9-1-2-10-23/h3-8,11-12,14H,1-2,9-10H2
InChIKeyDWOFLGXLBYFHST-UHFFFAOYSA-N
MW324.82 g/mol
LogP4.08
Rot. Bonds3

About 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine

4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine (PubChem CID 68605789) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine
PubChem CID68605789
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC Name4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine
SMILESClc1ccc(-c2nc(N3CCCC3)ncc2C2C=CN=C2)cc1
InChIInChI=1S/C18H17ClN4/c19-15-5-3-13(4-6-15)17-16(14-7-8-20-11-14)12-21-18(22-17)23-9-1-2-10-23/h3-8,11-12,14H,1-2,9-10H2
InChIKeyDWOFLGXLBYFHST-UHFFFAOYSA-N
XLogP4.08
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine (CID 68605789) is 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine is Clc1ccc(-c2nc(N3CCCC3)ncc2C2C=CN=C2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine?
The InChIKey is DWOFLGXLBYFHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c19-15-5-3-13(4-6-15)17-16(14-7-8-20-11-14)12-21-18(22-17)23-9-1-2-10-23/h3-8,11-12,14H,1-2,9-10H2.
What are the key properties of 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine?
4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine has a molecular weight of 324.82 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-(3H-pyrrol-3-yl)pyrimidine is sourced from PubChem (CID 68605789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).