4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine

C20H20N4O — CID 154842652

IUPAC4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
SMILESCc1cc(N2CC[C@@H](Oc3ccccc3)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C20H20N4O/c1-15-12-19(23-20(22-15)16-6-5-10-21-13-16)24-11-9-18(14-24)25-17-7-3-2-4-8-17/h2-8,10,12-13,18H,9,11,14H2,1H3/t18-/m1/s1
InChIKeyLBCZWSIFGOKWRR-GOSISDBHSA-N
MW332.41 g/mol
LogP3.50
Rot. Bonds4

About 4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine

4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine (PubChem CID 154842652) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
PubChem CID154842652
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
SMILESCc1cc(N2CC[C@@H](Oc3ccccc3)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C20H20N4O/c1-15-12-19(23-20(22-15)16-6-5-10-21-13-16)24-11-9-18(14-24)25-17-7-3-2-4-8-17/h2-8,10,12-13,18H,9,11,14H2,1H3/t18-/m1/s1
InChIKeyLBCZWSIFGOKWRR-GOSISDBHSA-N
XLogP3.50
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine (CID 154842652) is 4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine is Cc1cc(N2CC[C@@H](Oc3ccccc3)C2)nc(-c2cccnc2)n1.
What is the InChIKey of 4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine?
The InChIKey is LBCZWSIFGOKWRR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-12-19(23-20(22-15)16-6-5-10-21-13-16)24-11-9-18(14-24)25-17-7-3-2-4-8-17/h2-8,10,12-13,18H,9,11,14H2,1H3/t18-/m1/s1.
What are the key properties of 4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine?
4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine has a molecular weight of 332.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 154842652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).