5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine

C20H19ClN4 — CID 44591426

IUPAC5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine
SMILESCc1nc(-c2ccccn2)nc(N2CCC(c3ccccc3)C2)c1Cl
InChIInChI=1S/C20H19ClN4/c1-14-18(21)20(24-19(23-14)17-9-5-6-11-22-17)25-12-10-16(13-25)15-7-3-2-4-8-15/h2-9,11,16H,10,12-13H2,1H3
InChIKeyFXMPDDYIOUCHHX-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.49
Rot. Bonds3

About 5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine

5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine (PubChem CID 44591426) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is 5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine
PubChem CID44591426
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC Name5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine
SMILESCc1nc(-c2ccccn2)nc(N2CCC(c3ccccc3)C2)c1Cl
InChIInChI=1S/C20H19ClN4/c1-14-18(21)20(24-19(23-14)17-9-5-6-11-22-17)25-12-10-16(13-25)15-7-3-2-4-8-15/h2-9,11,16H,10,12-13H2,1H3
InChIKeyFXMPDDYIOUCHHX-UHFFFAOYSA-N
XLogP4.49
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine (CID 44591426) is 5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine is Cc1nc(-c2ccccn2)nc(N2CCC(c3ccccc3)C2)c1Cl.
What is the InChIKey of 5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine?
The InChIKey is FXMPDDYIOUCHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4/c1-14-18(21)20(24-19(23-14)17-9-5-6-11-22-17)25-12-10-16(13-25)15-7-3-2-4-8-15/h2-9,11,16H,10,12-13H2,1H3.
What are the key properties of 5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine?
5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine has a molecular weight of 350.85 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-6-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 44591426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).