2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine

C25H23N5 — CID 141348541

IUPAC2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine
SMILESc1ccc(-c2nccc(-c3cncc(-c4ccc(CN5CCCC5)cc4)c3)n2)nc1
InChIInChI=1S/C25H23N5/c1-2-11-27-24(5-1)25-28-12-10-23(29-25)22-15-21(16-26-17-22)20-8-6-19(7-9-20)18-30-13-3-4-14-30/h1-2,5-12,15-17H,3-4,13-14,18H2
InChIKeyYGRZPZDUIKARRL-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.86
Rot. Bonds5

About 2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine

2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine (PubChem CID 141348541) has the molecular formula C25H23N5 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine
PubChem CID141348541
Molecular FormulaC25H23N5
Molecular Weight393.49 g/mol
Exact Mass393.20
IUPAC Name2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine
SMILESc1ccc(-c2nccc(-c3cncc(-c4ccc(CN5CCCC5)cc4)c3)n2)nc1
InChIInChI=1S/C25H23N5/c1-2-11-27-24(5-1)25-28-12-10-23(29-25)22-15-21(16-26-17-22)20-8-6-19(7-9-20)18-30-13-3-4-14-30/h1-2,5-12,15-17H,3-4,13-14,18H2
InChIKeyYGRZPZDUIKARRL-UHFFFAOYSA-N
XLogP4.86
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine?
The IUPAC name of 2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine (CID 141348541) is 2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine.
What is the SMILES notation for 2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine?
The canonical SMILES for 2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine is c1ccc(-c2nccc(-c3cncc(-c4ccc(CN5CCCC5)cc4)c3)n2)nc1.
What is the InChIKey of 2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine?
The InChIKey is YGRZPZDUIKARRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5/c1-2-11-27-24(5-1)25-28-12-10-23(29-25)22-15-21(16-26-17-22)20-8-6-19(7-9-20)18-30-13-3-4-14-30/h1-2,5-12,15-17H,3-4,13-14,18H2.
What are the key properties of 2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine?
2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine has a molecular weight of 393.49 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]pyrimidine is sourced from PubChem (CID 141348541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).